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

C20H14N8O2 — CID 70496697

IUPACN-[3-(5-cyano-2-methoxyphenyl)-1-(cyanomethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C#N)cc1-c1nn(CC#N)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C20H14N8O2/c1-30-17-4-3-13(10-22)9-14(17)18-16(12-27(26-18)8-5-21)25-20(29)15-11-24-28-7-2-6-23-19(15)28/h2-4,6-7,9,11-12H,8H2,1H3,(H,25,29)
InChIKeyRLMJBWMUSGVOND-UHFFFAOYSA-N
MW398.39 g/mol
LogP2.25
Rot. Bonds5

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

N-[3-(5-cyano-2-methoxyphenyl)-1-(cyanomethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70496697) has the molecular formula C20H14N8O2 and a molecular weight of 398.39 g/mol. Its IUPAC name is N-[3-(5-cyano-2-methoxyphenyl)-1-(cyanomethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(5-cyano-2-methoxyphenyl)-1-(cyanomethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID70496697
Molecular FormulaC20H14N8O2
Molecular Weight398.39 g/mol
Exact Mass398.12
IUPAC NameN-[3-(5-cyano-2-methoxyphenyl)-1-(cyanomethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C#N)cc1-c1nn(CC#N)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C20H14N8O2/c1-30-17-4-3-13(10-22)9-14(17)18-16(12-27(26-18)8-5-21)25-20(29)15-11-24-28-7-2-6-23-19(15)28/h2-4,6-7,9,11-12H,8H2,1H3,(H,25,29)
InChIKeyRLMJBWMUSGVOND-UHFFFAOYSA-N
XLogP2.25
TPSA133.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[3-(5-cyano-2-methoxyphenyl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66851644
N-[3-(5-cyano-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496975
N-[3-(5-cyano-2-methoxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497456
N-[3-(5-cyano-2-methoxyphenyl)-1-[2-(cyclobutylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497171
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyanoamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 88710033
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-oxoethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154961995
N-[3-(5-amino-2-methoxyphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 88982256
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-[(2R)-2,3-dihydroxy-3-methylbutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70495965
N-[3-(5-chloro-2-methoxyphenyl)-1-[(5-oxopyrrolidin-2-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496643
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497374

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyano-2-methoxyphenyl)-1-(cyanomethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(5-cyano-2-methoxyphenyl)-1-(cyanomethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70496697) is N-[3-(5-cyano-2-methoxyphenyl)-1-(cyanomethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(5-cyano-2-methoxyphenyl)-1-(cyanomethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(5-cyano-2-methoxyphenyl)-1-(cyanomethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(C#N)cc1-c1nn(CC#N)cc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[3-(5-cyano-2-methoxyphenyl)-1-(cyanomethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RLMJBWMUSGVOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N8O2/c1-30-17-4-3-13(10-22)9-14(17)18-16(12-27(26-18)8-5-21)25-20(29)15-11-24-28-7-2-6-23-19(15)28/h2-4,6-7,9,11-12H,8H2,1H3,(H,25,29).
What are the key properties of N-[3-(5-cyano-2-methoxyphenyl)-1-(cyanomethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(5-cyano-2-methoxyphenyl)-1-(cyanomethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 398.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyano-2-methoxyphenyl)-1-(cyanomethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70496697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).