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

C11H19BrN4O — CID 119523751

IUPACN-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NC(C)(C)CN)c1Br
InChIInChI=1S/C11H19BrN4O/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)
InChIKeyJMYWOFXLMFTPNY-UHFFFAOYSA-N
MW303.20 g/mol
LogP1.76
Rot. Bonds4

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

N-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 119523751) has the molecular formula C11H19BrN4O and a molecular weight of 303.20 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID119523751
Molecular FormulaC11H19BrN4O
Molecular Weight303.20 g/mol
Exact Mass302.07
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NC(C)(C)CN)c1Br
InChIInChI=1S/C11H19BrN4O/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)
InChIKeyJMYWOFXLMFTPNY-UHFFFAOYSA-N
XLogP1.76
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 51.76
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;hydrochloride
CID 119523750
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
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-amino-N-(1-hydroxy-3-methylpentan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 106164095
4-bromo-N-(4-phenylbutan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560954

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?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 119523751) is N-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)NC(C)(C)CN)c1Br.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is JMYWOFXLMFTPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O/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).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 303.20 g/mol, XLogP of 1.76, 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 is sourced from PubChem (CID 119523751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).