7-(dimethylamino)-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

C17H19N5O — CID 53171784

IUPAC7-(dimethylamino)-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(N(C)C)n3nccc3n2)c1
InChIInChI=1S/C17H19N5O/c1-12-5-4-6-13(9-12)11-18-17(23)14-10-16(21(2)3)22-15(20-14)7-8-19-22/h4-10H,11H2,1-3H3,(H,18,23)
InChIKeyOCUXPIJQHRKOJZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.03
Rot. Bonds4

About 7-(dimethylamino)-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

7-(dimethylamino)-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53171784) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 7-(dimethylamino)-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-(dimethylamino)-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53171784
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name7-(dimethylamino)-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(N(C)C)n3nccc3n2)c1
InChIInChI=1S/C17H19N5O/c1-12-5-4-6-13(9-12)11-18-17(23)14-10-16(21(2)3)22-15(20-14)7-8-19-22/h4-10H,11H2,1-3H3,(H,18,23)
InChIKeyOCUXPIJQHRKOJZ-UHFFFAOYSA-N
XLogP2.03
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110850843
N-benzyl-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040792
N-(1,3-benzodioxol-5-ylmethyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110851790
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 47297279
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409
6-N,6-N-diethyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097429
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109
4-(diethylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210192
6-methyl-2-(N-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327712
1-methyl-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
CID 110691577
2-N-[(3-methylphenyl)methyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109097438
N-[(3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
CID 71838130

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-(dimethylamino)-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53171784) is 7-(dimethylamino)-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-(dimethylamino)-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-(dimethylamino)-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is Cc1cccc(CNC(=O)c2cc(N(C)C)n3nccc3n2)c1.
What is the InChIKey of 7-(dimethylamino)-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is OCUXPIJQHRKOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12-5-4-6-13(9-12)11-18-17(23)14-10-16(21(2)3)22-15(20-14)7-8-19-22/h4-10H,11H2,1-3H3,(H,18,23).
What are the key properties of 7-(dimethylamino)-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-(dimethylamino)-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53171784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).