N-(3-aminobutyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride

C11H19ClN4O — CID 119495448

IUPACN-(3-aminobutyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cc(C2CC2)[nH]n1.Cl
InChIInChI=1S/C11H18N4O.ClH/c1-7(12)4-5-13-11(16)10-6-9(14-15-10)8-2-3-8;/h6-8H,2-5,12H2,1H3,(H,13,16)(H,14,15);1H
InChIKeyJURMJVPXACCGMT-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.18
Rot. Bonds5

About N-(3-aminobutyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride

N-(3-aminobutyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 119495448) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is N-(3-aminobutyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID119495448
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC NameN-(3-aminobutyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cc(C2CC2)[nH]n1.Cl
InChIInChI=1S/C11H18N4O.ClH/c1-7(12)4-5-13-11(16)10-6-9(14-15-10)8-2-3-8;/h6-8H,2-5,12H2,1H3,(H,13,16)(H,14,15);1H
InChIKeyJURMJVPXACCGMT-UHFFFAOYSA-N
XLogP1.18
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119500515
5-cyclopropyl-N-[3-(methylamino)propyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119430091
5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide
CID 20918125
5-cyclopropyl-N-(1-hydroxypropan-2-yl)-1H-pyrazole-3-carboxamide
CID 146085389
5-cyclopropyl-N-[2-(dimethylsulfamoylamino)ethyl]-1H-pyrazole-3-carboxamide
CID 138042156
N-(3-aminobutyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride
CID 119495118
N-[(3R)-3-(4-chloropyrazol-1-yl)pentyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 51853113
5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide
CID 47158112
N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119494825
N-(1-amino-2,4-dimethylpentan-2-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119597806
5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119510443
methyl 2-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoate
CID 47158124

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride (CID 119495448) is N-(3-aminobutyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride is CC(N)CCNC(=O)c1cc(C2CC2)[nH]n1.Cl.
What is the InChIKey of N-(3-aminobutyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is JURMJVPXACCGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.ClH/c1-7(12)4-5-13-11(16)10-6-9(14-15-10)8-2-3-8;/h6-8H,2-5,12H2,1H3,(H,13,16)(H,14,15);1H.
What are the key properties of N-(3-aminobutyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride?
N-(3-aminobutyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119495448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).