N-[5-(5-chloro-2-methoxyphenyl)-2-[2-(cyclohexylamino)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H28ClN7O3 — CID 154962477

IUPACN-[5-(5-chloro-2-methoxyphenyl)-2-[2-(cyclohexylamino)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1C1NN(CC(=O)NC2CCCCC2)C=C1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C25H28ClN7O3/c1-36-21-9-8-16(26)12-18(21)23-20(30-25(35)19-13-28-33-11-5-10-27-24(19)33)14-32(31-23)15-22(34)29-17-6-3-2-4-7-17/h5,8-14,17,23,31H,2-4,6-7,15H2,1H3,(H,29,34)(H,30,35)
InChIKeyHDJYDSSPUUGOOZ-UHFFFAOYSA-N
MW510.00 g/mol
LogP2.97
Rot. Bonds7

About N-[5-(5-chloro-2-methoxyphenyl)-2-[2-(cyclohexylamino)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-(5-chloro-2-methoxyphenyl)-2-[2-(cyclohexylamino)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 154962477) has the molecular formula C25H28ClN7O3 and a molecular weight of 510.00 g/mol. Its IUPAC name is N-[5-(5-chloro-2-methoxyphenyl)-2-[2-(cyclohexylamino)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(5-chloro-2-methoxyphenyl)-2-[2-(cyclohexylamino)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID154962477
Molecular FormulaC25H28ClN7O3
Molecular Weight510.00 g/mol
Exact Mass509.19
IUPAC NameN-[5-(5-chloro-2-methoxyphenyl)-2-[2-(cyclohexylamino)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1C1NN(CC(=O)NC2CCCCC2)C=C1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C25H28ClN7O3/c1-36-21-9-8-16(26)12-18(21)23-20(30-25(35)19-13-28-33-11-5-10-27-24(19)33)14-32(31-23)15-22(34)29-17-6-3-2-4-7-17/h5,8-14,17,23,31H,2-4,6-7,15H2,1H3,(H,29,34)(H,30,35)
InChIKeyHDJYDSSPUUGOOZ-UHFFFAOYSA-N
XLogP2.97
TPSA112.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.00
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-2-methoxyphenyl)-2-[2-(cyclohexylamino)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-(5-chloro-2-methoxyphenyl)-2-[2-(cyclohexylamino)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 154962477) is N-[5-(5-chloro-2-methoxyphenyl)-2-[2-(cyclohexylamino)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-(5-chloro-2-methoxyphenyl)-2-[2-(cyclohexylamino)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-(5-chloro-2-methoxyphenyl)-2-[2-(cyclohexylamino)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(Cl)cc1C1NN(CC(=O)NC2CCCCC2)C=C1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[5-(5-chloro-2-methoxyphenyl)-2-[2-(cyclohexylamino)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HDJYDSSPUUGOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN7O3/c1-36-21-9-8-16(26)12-18(21)23-20(30-25(35)19-13-28-33-11-5-10-27-24(19)33)14-32(31-23)15-22(34)29-17-6-3-2-4-7-17/h5,8-14,17,23,31H,2-4,6-7,15H2,1H3,(H,29,34)(H,30,35).
What are the key properties of N-[5-(5-chloro-2-methoxyphenyl)-2-[2-(cyclohexylamino)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-(5-chloro-2-methoxyphenyl)-2-[2-(cyclohexylamino)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 510.00 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-2-methoxyphenyl)-2-[2-(cyclohexylamino)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 154962477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).