7-(methylamino)-5-[(1-methylpyrazol-4-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C12H14N8O — CID 137457768

IUPAC7-(methylamino)-5-[(1-methylpyrazol-4-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cnn(C)c2)nc2c(C(N)=O)cnn12
InChIInChI=1S/C12H14N8O/c1-14-10-3-9(17-7-4-15-19(2)6-7)18-12-8(11(13)21)5-16-20(10)12/h3-6,14H,1-2H3,(H2,13,21)(H,17,18)
InChIKeyCXSJMTYBMTZRDE-UHFFFAOYSA-N
MW286.30 g/mol
LogP0.35
Rot. Bonds4

About 7-(methylamino)-5-[(1-methylpyrazol-4-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(methylamino)-5-[(1-methylpyrazol-4-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137457768) has the molecular formula C12H14N8O and a molecular weight of 286.30 g/mol. Its IUPAC name is 7-(methylamino)-5-[(1-methylpyrazol-4-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(methylamino)-5-[(1-methylpyrazol-4-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137457768
Molecular FormulaC12H14N8O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name7-(methylamino)-5-[(1-methylpyrazol-4-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cnn(C)c2)nc2c(C(N)=O)cnn12
InChIInChI=1S/C12H14N8O/c1-14-10-3-9(17-7-4-15-19(2)6-7)18-12-8(11(13)21)5-16-20(10)12/h3-6,14H,1-2H3,(H2,13,21)(H,17,18)
InChIKeyCXSJMTYBMTZRDE-UHFFFAOYSA-N
XLogP0.35
TPSA115.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181640
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-chloro-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122196179
N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181591
5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181594
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181627
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181639
5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449129
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449136
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449350
N-[(1S,2R)-2-fluorocyclopropyl]-5-[[5-fluoro-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449368
N-cyclopropyl-5-[[5-fluoro-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449371
N-cyclopropyl-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449372

Frequently Asked Questions

What is the IUPAC name of 7-(methylamino)-5-[(1-methylpyrazol-4-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(methylamino)-5-[(1-methylpyrazol-4-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137457768) is 7-(methylamino)-5-[(1-methylpyrazol-4-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(methylamino)-5-[(1-methylpyrazol-4-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(methylamino)-5-[(1-methylpyrazol-4-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cnn(C)c2)nc2c(C(N)=O)cnn12.
What is the InChIKey of 7-(methylamino)-5-[(1-methylpyrazol-4-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CXSJMTYBMTZRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8O/c1-14-10-3-9(17-7-4-15-19(2)6-7)18-12-8(11(13)21)5-16-20(10)12/h3-6,14H,1-2H3,(H2,13,21)(H,17,18).
What are the key properties of 7-(methylamino)-5-[(1-methylpyrazol-4-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(methylamino)-5-[(1-methylpyrazol-4-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylamino)-5-[(1-methylpyrazol-4-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137457768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).