N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-propyltriazole-4-carboxamide

C15H20N8O — CID 138030343

IUPACN-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-propyltriazole-4-carboxamide
SMILESCCCn1cc(C(=O)Nc2cc(N(C)C)n3nc(C)cc3n2)nn1
InChIInChI=1S/C15H20N8O/c1-5-6-22-9-11(18-20-22)15(24)17-12-8-14(21(3)4)23-13(16-12)7-10(2)19-23/h7-9H,5-6H2,1-4H3,(H,16,17,24)
InChIKeyHKXRLTBRTROZEU-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.36
Rot. Bonds5

About N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-propyltriazole-4-carboxamide

N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-propyltriazole-4-carboxamide (PubChem CID 138030343) has the molecular formula C15H20N8O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-propyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-propyltriazole-4-carboxamide
PubChem CID138030343
Molecular FormulaC15H20N8O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-propyltriazole-4-carboxamide
SMILESCCCn1cc(C(=O)Nc2cc(N(C)C)n3nc(C)cc3n2)nn1
InChIInChI=1S/C15H20N8O/c1-5-6-22-9-11(18-20-22)15(24)17-12-8-14(21(3)4)23-13(16-12)7-10(2)19-23/h7-9H,5-6H2,1-4H3,(H,16,17,24)
InChIKeyHKXRLTBRTROZEU-UHFFFAOYSA-N
XLogP1.36
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Anagliptin
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5-{[(1r,2s)-2-Aminocyclohexyl]amino}-N-[1-Methyl-3-(Trifluoromethyl)-1h-Pyrazol-4-Yl]pyrazolo[1,5-A]pyrimidine-3-Carboxamide
CID 122181630
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
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US10155765, Example 31
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5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
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5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-cyano-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181629
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181643
5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181645
(R)-5-(5-Amino-3,3-difluoropiperidin-1-yl)-N-(3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
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5-[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181675
5-[(3S,4S)-3-amino-4-fluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181676

Frequently Asked Questions

What is the IUPAC name of N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-propyltriazole-4-carboxamide?
The IUPAC name of N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-propyltriazole-4-carboxamide (CID 138030343) is N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-propyltriazole-4-carboxamide.
What is the SMILES notation for N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-propyltriazole-4-carboxamide?
The canonical SMILES for N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-propyltriazole-4-carboxamide is CCCn1cc(C(=O)Nc2cc(N(C)C)n3nc(C)cc3n2)nn1.
What is the InChIKey of N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-propyltriazole-4-carboxamide?
The InChIKey is HKXRLTBRTROZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8O/c1-5-6-22-9-11(18-20-22)15(24)17-12-8-14(21(3)4)23-13(16-12)7-10(2)19-23/h7-9H,5-6H2,1-4H3,(H,16,17,24).
What are the key properties of N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-propyltriazole-4-carboxamide?
N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-propyltriazole-4-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-propyltriazole-4-carboxamide is sourced from PubChem (CID 138030343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).