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

C11H20BrClN4O — CID 119523750

IUPACN-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)c1[nH]nc(C(=O)NC(C)(C)CN)c1Br.Cl
InChIInChI=1S/C11H19BrN4O.ClH/c1-6(2)8-7(12)9(16-15-8)10(17)14-11(3,4)5-13;/h6H,5,13H2,1-4H3,(H,14,17)(H,15,16);1H
InChIKeyWVPVEZBDTOPFJQ-UHFFFAOYSA-N
MW339.67 g/mol
LogP2.18
Rot. Bonds4

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

N-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 119523750) has the molecular formula C11H20BrClN4O and a molecular weight of 339.67 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID119523750
Molecular FormulaC11H20BrClN4O
Molecular Weight339.67 g/mol
Exact Mass338.05
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)c1[nH]nc(C(=O)NC(C)(C)CN)c1Br.Cl
InChIInChI=1S/C11H19BrN4O.ClH/c1-6(2)8-7(12)9(16-15-8)10(17)14-11(3,4)5-13;/h6H,5,13H2,1-4H3,(H,14,17)(H,15,16);1H
InChIKeyWVPVEZBDTOPFJQ-UHFFFAOYSA-N
XLogP2.18
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

N-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 119523751
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076553
N-(3-aminobutyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119497916
ethyl 4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxylate
CID 71308089
N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119521608
4-bromo-N-[(1-hydroxycyclobutyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 111445713
4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 111543229
4-bromo-5-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 56560135
4-bromo-5-propan-2-yl-N-(2,2,2-trifluoro-1-phenylethyl)-1H-pyrazole-3-carboxamide
CID 56583007
4-bromo-5-propan-2-yl-N-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide
CID 119452554
4-amino-N-(2-methoxy-2-methylpropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 104758271
4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119536440

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride (CID 119523750) is N-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride is CC(C)c1[nH]nc(C(=O)NC(C)(C)CN)c1Br.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is WVPVEZBDTOPFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O.ClH/c1-6(2)8-7(12)9(16-15-8)10(17)14-11(3,4)5-13;/h6H,5,13H2,1-4H3,(H,14,17)(H,15,16);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 339.67 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119523750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).