N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H13ClF2N6O2 — CID 142427481

IUPACN-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccn2ncc(C(=O)Nc3cn[nH]c3-c3cc(Cl)ccc3OC(F)F)c2n1
InChIInChI=1S/C18H13ClF2N6O2/c1-9-4-5-27-16(24-9)12(7-23-27)17(28)25-13-8-22-26-15(13)11-6-10(19)2-3-14(11)29-18(20)21/h2-8,18H,1H3,(H,22,26)(H,25,28)
InChIKeyHPBYRLWZNDBJOG-UHFFFAOYSA-N
MW418.79 g/mol
LogP3.93
Rot. Bonds5

About N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 142427481) has the molecular formula C18H13ClF2N6O2 and a molecular weight of 418.79 g/mol. Its IUPAC name is N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID142427481
Molecular FormulaC18H13ClF2N6O2
Molecular Weight418.79 g/mol
Exact Mass418.08
IUPAC NameN-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccn2ncc(C(=O)Nc3cn[nH]c3-c3cc(Cl)ccc3OC(F)F)c2n1
InChIInChI=1S/C18H13ClF2N6O2/c1-9-4-5-27-16(24-9)12(7-23-27)17(28)25-13-8-22-26-15(13)11-6-10(19)2-3-14(11)29-18(20)21/h2-8,18H,1H3,(H,22,26)(H,25,28)
InChIKeyHPBYRLWZNDBJOG-UHFFFAOYSA-N
XLogP3.93
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.79
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 142427481) is N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccn2ncc(C(=O)Nc3cn[nH]c3-c3cc(Cl)ccc3OC(F)F)c2n1.
What is the InChIKey of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HPBYRLWZNDBJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N6O2/c1-9-4-5-27-16(24-9)12(7-23-27)17(28)25-13-8-22-26-15(13)11-6-10(19)2-3-14(11)29-18(20)21/h2-8,18H,1H3,(H,22,26)(H,25,28).
What are the key properties of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 418.79 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 142427481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).