N-[3-(aminomethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-carboxamide;hydrochloride

C12H23ClN4O — CID 119570951

IUPACN-[3-(aminomethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1cnn(C)c1C.Cl
InChIInChI=1S/C12H22N4O.ClH/c1-5-12(6-2,8-13)15-11(17)10-7-14-16(4)9(10)3;/h7H,5-6,8,13H2,1-4H3,(H,15,17);1H
InChIKeyPJIOOCLKIVZYMG-UHFFFAOYSA-N
MW274.80 g/mol
LogP1.40
Rot. Bonds5

About N-[3-(aminomethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-carboxamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119570951) has the molecular formula C12H23ClN4O and a molecular weight of 274.80 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-carboxamide;hydrochloride
PubChem CID119570951
Molecular FormulaC12H23ClN4O
Molecular Weight274.80 g/mol
Exact Mass274.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1cnn(C)c1C.Cl
InChIInChI=1S/C12H22N4O.ClH/c1-5-12(6-2,8-13)15-11(17)10-7-14-16(4)9(10)3;/h7H,5-6,8,13H2,1-4H3,(H,15,17);1H
InChIKeyPJIOOCLKIVZYMG-UHFFFAOYSA-N
XLogP1.40
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-ethylbutanoic acid
CID 79806439
N-[3-(aminomethyl)pentan-3-yl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119568953
N-[3-(aminomethyl)pentan-3-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 119571003
N-(1-amino-2-methylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119521515
N-[3-(aminomethyl)pentan-3-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 119570912
N-[3-(aminomethyl)pentan-3-yl]-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
CID 119569798
3-ethyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 120532617
N-[3-(aminomethyl)pentan-3-yl]-3-iodo-2-methylbenzamide;hydrochloride
CID 119571130
1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
CID 103730649
N-(2-amino-1-cyclopentylethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 106737336
N-(3-amino-3-sulfanylidenepropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 62665555
1,5-dimethyl-N-(3-oxopentan-2-yl)pyrazole-4-carboxamide
CID 64991676

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-carboxamide;hydrochloride (CID 119570951) is N-[3-(aminomethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-carboxamide;hydrochloride is CCC(CC)(CN)NC(=O)c1cnn(C)c1C.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is PJIOOCLKIVZYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O.ClH/c1-5-12(6-2,8-13)15-11(17)10-7-14-16(4)9(10)3;/h7H,5-6,8,13H2,1-4H3,(H,15,17);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-carboxamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 274.80 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119570951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).