N-(3-aminobutyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride

C11H20BrClN4O — CID 119497916

IUPACN-(3-aminobutyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1n[nH]c(C(C)C)c1Br.Cl
InChIInChI=1S/C11H19BrN4O.ClH/c1-6(2)9-8(12)10(16-15-9)11(17)14-5-4-7(3)13;/h6-7H,4-5,13H2,1-3H3,(H,14,17)(H,15,16);1H
InChIKeyCCRLRIUCJYDKET-UHFFFAOYSA-N
MW339.67 g/mol
LogP2.18
Rot. Bonds5

About N-(3-aminobutyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride

N-(3-aminobutyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 119497916) has the molecular formula C11H20BrClN4O and a molecular weight of 339.67 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID119497916
Molecular FormulaC11H20BrClN4O
Molecular Weight339.67 g/mol
Exact Mass338.05
IUPAC NameN-(3-aminobutyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1n[nH]c(C(C)C)c1Br.Cl
InChIInChI=1S/C11H19BrN4O.ClH/c1-6(2)9-8(12)10(16-15-9)11(17)14-5-4-7(3)13;/h6-7H,4-5,13H2,1-3H3,(H,14,17)(H,15,16);1H
InChIKeyCCRLRIUCJYDKET-UHFFFAOYSA-N
XLogP2.18
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.67
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 56563429
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4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide;hydrochloride
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N-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 119523751
4-bromo-N-[4-(N-methylanilino)butyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56567094
ethyl 4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxylate
CID 71308089
4-bromo-N-[3-(4-fluorophenoxy)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
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4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide
CID 119536441
4-bromo-N-(4-phenylbutan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560954
4-bromo-N-[(1-hydroxycyclobutyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 111445713
4-bromo-N-[3-[(3-hydroxybenzoyl)amino]propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564965
4-bromo-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride (CID 119497916) is N-(3-aminobutyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride is CC(N)CCNC(=O)c1n[nH]c(C(C)C)c1Br.Cl.
What is the InChIKey of N-(3-aminobutyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is CCRLRIUCJYDKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O.ClH/c1-6(2)9-8(12)10(16-15-9)11(17)14-5-4-7(3)13;/h6-7H,4-5,13H2,1-3H3,(H,14,17)(H,15,16);1H.
What are the key properties of N-(3-aminobutyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
N-(3-aminobutyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 339.67 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119497916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).