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

C23H23ClN6O3 — CID 70497038

IUPACN-[5-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1-c1c(NC(=O)c2cnn3cccnc23)cnn1CC1CCOCC1
InChIInChI=1S/C23H23ClN6O3/c1-32-20-4-3-16(24)11-17(20)21-19(13-27-30(21)14-15-5-9-33-10-6-15)28-23(31)18-12-26-29-8-2-7-25-22(18)29/h2-4,7-8,11-13,15H,5-6,9-10,14H2,1H3,(H,28,31)
InChIKeyCEIWKMJATHTSAN-UHFFFAOYSA-N
MW466.93 g/mol
LogP3.93
Rot. Bonds6

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

N-[5-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70497038) has the molecular formula C23H23ClN6O3 and a molecular weight of 466.93 g/mol. Its IUPAC name is N-[5-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID70497038
Molecular FormulaC23H23ClN6O3
Molecular Weight466.93 g/mol
Exact Mass466.15
IUPAC NameN-[5-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1-c1c(NC(=O)c2cnn3cccnc23)cnn1CC1CCOCC1
InChIInChI=1S/C23H23ClN6O3/c1-32-20-4-3-16(24)11-17(20)21-19(13-27-30(21)14-15-5-9-33-10-6-15)28-23(31)18-12-26-29-8-2-7-25-22(18)29/h2-4,7-8,11-13,15H,5-6,9-10,14H2,1H3,(H,28,31)
InChIKeyCEIWKMJATHTSAN-UHFFFAOYSA-N
XLogP3.93
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.93
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 131983030
N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 755928
N-[3-(5-chloro-2-methoxyphenyl)-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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CID 70496643
N-[5-chloro-2-(2-methoxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66664795
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496734
2-[3-(5-chloro-2-methoxyphenyl)-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 66879664
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497937
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyclopropanecarbonylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497231
N-[3-(5-chloro-2-methoxyphenyl)-1-(2-oxoethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154961995
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496991
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyclobutylamino)-1-fluoro-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496682

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70497038) is N-[5-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(Cl)cc1-c1c(NC(=O)c2cnn3cccnc23)cnn1CC1CCOCC1.
What is the InChIKey of N-[5-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CEIWKMJATHTSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O3/c1-32-20-4-3-16(24)11-17(20)21-19(13-27-30(21)14-15-5-9-33-10-6-15)28-23(31)18-12-26-29-8-2-7-25-22(18)29/h2-4,7-8,11-13,15H,5-6,9-10,14H2,1H3,(H,28,31).
What are the key properties of N-[5-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 466.93 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70497038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).