2,5,7-trimethyl-N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride

C14H22ClN5O — CID 120831089

IUPAC2,5,7-trimethyl-N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1c(C)nn2c(C)cc(C)nc12.Cl
InChIInChI=1S/C14H21N5O.ClH/c1-8-6-10(3)19-13(17-8)12(11(4)18-19)14(20)16-7-9(2)15-5;/h6,9,15H,7H2,1-5H3,(H,16,20);1H
InChIKeyBKIOYSNDHYCHBO-UHFFFAOYSA-N
MW311.82 g/mol
LogP1.41
Rot. Bonds4

About 2,5,7-trimethyl-N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride

2,5,7-trimethyl-N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride (PubChem CID 120831089) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 2,5,7-trimethyl-N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2,5,7-trimethyl-N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
PubChem CID120831089
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name2,5,7-trimethyl-N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1c(C)nn2c(C)cc(C)nc12.Cl
InChIInChI=1S/C14H21N5O.ClH/c1-8-6-10(3)19-13(17-8)12(11(4)18-19)14(20)16-7-9(2)15-5;/h6,9,15H,7H2,1-5H3,(H,16,20);1H
InChIKeyBKIOYSNDHYCHBO-UHFFFAOYSA-N
XLogP1.41
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 119236620
3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 119220654
2-phenyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 119254491
N-[(1-hydroxycyclohexyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111485768
N-(azetidin-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122147962
2,5,7-trimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74250478
2,5,7-trimethyl-N-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119447428
N-[2-(cycloheptylamino)ethyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119620516
2-[4-[[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698142
2,5,7-trimethyl-N-[4-[[methyl(propan-2-yl)amino]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167909812
2,5,7-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119536193
N-(1-aminohexan-2-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119667120

Frequently Asked Questions

What is the IUPAC name of 2,5,7-trimethyl-N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
The IUPAC name of 2,5,7-trimethyl-N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride (CID 120831089) is 2,5,7-trimethyl-N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2,5,7-trimethyl-N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
The canonical SMILES for 2,5,7-trimethyl-N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride is CNC(C)CNC(=O)c1c(C)nn2c(C)cc(C)nc12.Cl.
What is the InChIKey of 2,5,7-trimethyl-N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
The InChIKey is BKIOYSNDHYCHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O.ClH/c1-8-6-10(3)19-13(17-8)12(11(4)18-19)14(20)16-7-9(2)15-5;/h6,9,15H,7H2,1-5H3,(H,16,20);1H.
What are the key properties of 2,5,7-trimethyl-N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
2,5,7-trimethyl-N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride has a molecular weight of 311.82 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trimethyl-N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120831089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).