N-(3-amino-4-methylpentyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride

C15H24ClN5O — CID 119659284

IUPACN-(3-amino-4-methylpentyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCc1ccn2ncc(C(=O)N(C)CCC(N)C(C)C)c2n1.Cl
InChIInChI=1S/C15H23N5O.ClH/c1-10(2)13(16)6-7-19(4)15(21)12-9-17-20-8-5-11(3)18-14(12)20;/h5,8-10,13H,6-7,16H2,1-4H3;1H
InChIKeySHNOIUPIOQFXAH-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.90
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride

N-(3-amino-4-methylpentyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride (PubChem CID 119659284) has the molecular formula C15H24ClN5O and a molecular weight of 325.84 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
PubChem CID119659284
Molecular FormulaC15H24ClN5O
Molecular Weight325.84 g/mol
Exact Mass325.17
IUPAC NameN-(3-amino-4-methylpentyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCc1ccn2ncc(C(=O)N(C)CCC(N)C(C)C)c2n1.Cl
InChIInChI=1S/C15H23N5O.ClH/c1-10(2)13(16)6-7-19(4)15(21)12-9-17-20-8-5-11(3)18-14(12)20;/h5,8-10,13H,6-7,16H2,1-4H3;1H
InChIKeySHNOIUPIOQFXAH-UHFFFAOYSA-N
XLogP1.90
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride
CID 119658345
N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride
CID 119658400
N-(3-amino-4-methylpentyl)-1-(4-fluorophenyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119659165
N-(3-amino-4-methylpentyl)-1-benzyl-5-ethyl-N-methylpyrazole-4-carboxamide;hydrochloride
CID 119659628
N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119660528
N-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide
CID 115317454
N-(3-amino-4-methylpentyl)-2-iodo-N,3-dimethylbenzamide;hydrochloride
CID 119658549
N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride
CID 119657352
N-(2-aminoethyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 120886612
2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 119657379
N-(3-amino-4-methylpentyl)-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
CID 119661216
N-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride
CID 119659612

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride (CID 119659284) is N-(3-amino-4-methylpentyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride is Cc1ccn2ncc(C(=O)N(C)CCC(N)C(C)C)c2n1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
The InChIKey is SHNOIUPIOQFXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O.ClH/c1-10(2)13(16)6-7-19(4)15(21)12-9-17-20-8-5-11(3)18-14(12)20;/h5,8-10,13H,6-7,16H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119659284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).