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

C19H17ClN6O3 — CID 70497069

IUPACN-[5-(5-chloro-2-methoxyphenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1-c1c(NC(=O)c2cnn3cccnc23)cnn1CCO
InChIInChI=1S/C19H17ClN6O3/c1-29-16-4-3-12(20)9-13(16)17-15(11-23-25(17)7-8-27)24-19(28)14-10-22-26-6-2-5-21-18(14)26/h2-6,9-11,27H,7-8H2,1H3,(H,24,28)
InChIKeyJWMNWMLDJKHWSK-UHFFFAOYSA-N
MW412.84 g/mol
LogP2.50
Rot. Bonds6

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

N-[5-(5-chloro-2-methoxyphenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70497069) has the molecular formula C19H17ClN6O3 and a molecular weight of 412.84 g/mol. Its IUPAC name is N-[5-(5-chloro-2-methoxyphenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(5-chloro-2-methoxyphenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID70497069
Molecular FormulaC19H17ClN6O3
Molecular Weight412.84 g/mol
Exact Mass412.11
IUPAC NameN-[5-(5-chloro-2-methoxyphenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1-c1c(NC(=O)c2cnn3cccnc23)cnn1CCO
InChIInChI=1S/C19H17ClN6O3/c1-29-16-4-3-12(20)9-13(16)17-15(11-23-25(17)7-8-27)24-19(28)14-10-22-26-6-2-5-21-18(14)26/h2-6,9-11,27H,7-8H2,1H3,(H,24,28)
InChIKeyJWMNWMLDJKHWSK-UHFFFAOYSA-N
XLogP2.50
TPSA106.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.84
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-2-methoxyphenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-(5-chloro-2-methoxyphenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70497069) is N-[5-(5-chloro-2-methoxyphenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-(5-chloro-2-methoxyphenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-(5-chloro-2-methoxyphenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(Cl)cc1-c1c(NC(=O)c2cnn3cccnc23)cnn1CCO.
What is the InChIKey of N-[5-(5-chloro-2-methoxyphenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JWMNWMLDJKHWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O3/c1-29-16-4-3-12(20)9-13(16)17-15(11-23-25(17)7-8-27)24-19(28)14-10-22-26-6-2-5-21-18(14)26/h2-6,9-11,27H,7-8H2,1H3,(H,24,28).
What are the key properties of N-[5-(5-chloro-2-methoxyphenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-(5-chloro-2-methoxyphenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 412.84 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-2-methoxyphenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70497069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).