5-bromopyrimidine-2-carbonitrile;N-[1-(5-bromopyrimidin-2-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide

C35H27Br2F2N11O2 — CID 161272494

IUPAC5-bromopyrimidine-2-carbonitrile;N-[1-(5-bromopyrimidin-2-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide
SMILESN#Cc1ncc(Br)cn1.O=C(Nc1ccn(-c2ncc(Br)cn2)n1)C1(c2ccccc2F)CC1.O=C(Nc1ccn[nH]1)C1(c2ccccc2F)CC1
InChIInChI=1S/C17H13BrFN5O.C13H12FN3O.C5H2BrN3/c18-11-9-20-16(21-10-11)24-8-5-14(23-24)22-15(25)17(6-7-17)12-3-1-2-4-13(12)19;14-10-4-2-1-3-9(10)13(6-7-13)12(18)16-11-5-8-15-17-11;6-4-2-8-5(1-7)9-3-4/h1-5,8-10H,6-7H2,(H,22,23,25);1-5,8H,6-7H2,(H2,15,16,17,18);2-3H
InChIKeyVDZTWGQQLNMLLM-UHFFFAOYSA-N
MW831.48 g/mol
LogP6.56
Rot. Bonds7

About 5-bromopyrimidine-2-carbonitrile;N-[1-(5-bromopyrimidin-2-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide

5-bromopyrimidine-2-carbonitrile;N-[1-(5-bromopyrimidin-2-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 161272494) has the molecular formula C35H27Br2F2N11O2 and a molecular weight of 831.48 g/mol. Its IUPAC name is 5-bromopyrimidine-2-carbonitrile;N-[1-(5-bromopyrimidin-2-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name5-bromopyrimidine-2-carbonitrile;N-[1-(5-bromopyrimidin-2-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide
PubChem CID161272494
Molecular FormulaC35H27Br2F2N11O2
Molecular Weight831.48 g/mol
Exact Mass829.07
IUPAC Name5-bromopyrimidine-2-carbonitrile;N-[1-(5-bromopyrimidin-2-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide
SMILESN#Cc1ncc(Br)cn1.O=C(Nc1ccn(-c2ncc(Br)cn2)n1)C1(c2ccccc2F)CC1.O=C(Nc1ccn[nH]1)C1(c2ccccc2F)CC1
InChIInChI=1S/C17H13BrFN5O.C13H12FN3O.C5H2BrN3/c18-11-9-20-16(21-10-11)24-8-5-14(23-24)22-15(25)17(6-7-17)12-3-1-2-4-13(12)19;14-10-4-2-1-3-9(10)13(6-7-13)12(18)16-11-5-8-15-17-11;6-4-2-8-5(1-7)9-3-4/h1-5,8-10H,6-7H2,(H,22,23,25);1-5,8H,6-7H2,(H2,15,16,17,18);2-3H
InChIKeyVDZTWGQQLNMLLM-UHFFFAOYSA-N
XLogP6.56
TPSA180.05 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.48
LogP ≤ 56.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-bromopyrimidine-2-carbonitrile;N-[1-(5-bromopyrimidin-2-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 5-bromopyrimidine-2-carbonitrile;N-[1-(5-bromopyrimidin-2-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide (CID 161272494) is 5-bromopyrimidine-2-carbonitrile;N-[1-(5-bromopyrimidin-2-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 5-bromopyrimidine-2-carbonitrile;N-[1-(5-bromopyrimidin-2-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 5-bromopyrimidine-2-carbonitrile;N-[1-(5-bromopyrimidin-2-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide is N#Cc1ncc(Br)cn1.O=C(Nc1ccn(-c2ncc(Br)cn2)n1)C1(c2ccccc2F)CC1.O=C(Nc1ccn[nH]1)C1(c2ccccc2F)CC1.
What is the InChIKey of 5-bromopyrimidine-2-carbonitrile;N-[1-(5-bromopyrimidin-2-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is VDZTWGQQLNMLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN5O.C13H12FN3O.C5H2BrN3/c18-11-9-20-16(21-10-11)24-8-5-14(23-24)22-15(25)17(6-7-17)12-3-1-2-4-13(12)19;14-10-4-2-1-3-9(10)13(6-7-13)12(18)16-11-5-8-15-17-11;6-4-2-8-5(1-7)9-3-4/h1-5,8-10H,6-7H2,(H,22,23,25);1-5,8H,6-7H2,(H2,15,16,17,18);2-3H.
What are the key properties of 5-bromopyrimidine-2-carbonitrile;N-[1-(5-bromopyrimidin-2-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide?
5-bromopyrimidine-2-carbonitrile;N-[1-(5-bromopyrimidin-2-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 831.48 g/mol, XLogP of 6.56, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyrimidine-2-carbonitrile;N-[1-(5-bromopyrimidin-2-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 161272494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).