N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H13ClN6O2 — CID 66850618

IUPACN-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1-c1[nH]ncc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C17H13ClN6O2/c1-26-14-4-3-10(18)7-11(14)15-13(9-20-23-15)22-17(25)12-8-21-24-6-2-5-19-16(12)24/h2-9H,1H3,(H,20,23)(H,22,25)
InChIKeyXKKAUOWCTRTUPH-UHFFFAOYSA-N
MW368.78 g/mol
LogP3.03
Rot. Bonds4

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

N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66850618) has the molecular formula C17H13ClN6O2 and a molecular weight of 368.78 g/mol. Its IUPAC name is N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66850618
Molecular FormulaC17H13ClN6O2
Molecular Weight368.78 g/mol
Exact Mass368.08
IUPAC NameN-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1-c1[nH]ncc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C17H13ClN6O2/c1-26-14-4-3-10(18)7-11(14)15-13(9-20-23-15)22-17(25)12-8-21-24-6-2-5-19-16(12)24/h2-9H,1H3,(H,20,23)(H,22,25)
InChIKeyXKKAUOWCTRTUPH-UHFFFAOYSA-N
XLogP3.03
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 53.03
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-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66850618) is N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(Cl)cc1-c1[nH]ncc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XKKAUOWCTRTUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O2/c1-26-14-4-3-10(18)7-11(14)15-13(9-20-23-15)22-17(25)12-8-21-24-6-2-5-19-16(12)24/h2-9H,1H3,(H,20,23)(H,22,25).
What are the key properties of N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 368.78 g/mol, XLogP of 3.03, 4 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-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66850618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).