N-(1-amino-2-methylpropan-2-yl)-1-tert-butylpyrazole-4-carboxamide;hydrochloride

C12H23ClN4O — CID 119521550

IUPACN-(1-amino-2-methylpropan-2-yl)-1-tert-butylpyrazole-4-carboxamide;hydrochloride
SMILESCC(C)(CN)NC(=O)c1cnn(C(C)(C)C)c1.Cl
InChIInChI=1S/C12H22N4O.ClH/c1-11(2,3)16-7-9(6-14-16)10(17)15-12(4,5)8-13;/h6-7H,8,13H2,1-5H3,(H,15,17);1H
InChIKeyPVWVJVUXFGRSMF-UHFFFAOYSA-N
MW274.80 g/mol
LogP1.53
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-1-tert-butylpyrazole-4-carboxamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-1-tert-butylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119521550) has the molecular formula C12H23ClN4O and a molecular weight of 274.80 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-1-tert-butylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-1-tert-butylpyrazole-4-carboxamide;hydrochloride
PubChem CID119521550
Molecular FormulaC12H23ClN4O
Molecular Weight274.80 g/mol
Exact Mass274.16
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-1-tert-butylpyrazole-4-carboxamide;hydrochloride
SMILESCC(C)(CN)NC(=O)c1cnn(C(C)(C)C)c1.Cl
InChIInChI=1S/C12H22N4O.ClH/c1-11(2,3)16-7-9(6-14-16)10(17)15-12(4,5)8-13;/h6-7H,8,13H2,1-5H3,(H,15,17);1H
InChIKeyPVWVJVUXFGRSMF-UHFFFAOYSA-N
XLogP1.53
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119572438
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CID 84732384
1-tert-butyl-N-[3-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride
CID 119429695
N-[2-(aminomethyl)cyclopentyl]-1-tert-butylpyrazole-4-carboxamide;hydrochloride
CID 119600768
N-(1-amino-2-methylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119521515
2-[(1-tert-butylpyrazole-4-carbonyl)amino]-2-phenylbutanoic acid
CID 119201684
1-tert-butylpyrazole-4-carbonyl chloride
CID 130058183
N-(1-amino-2-methylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119522804
N-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride
CID 130650761
N-(1-amino-2-methylpropan-2-yl)-5-hydroxypyridine-3-carboxamide
CID 63851549
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butylpyrazole-4-carboxamide
CID 120604907
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CID 119510024

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-tert-butylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-tert-butylpyrazole-4-carboxamide;hydrochloride (CID 119521550) is N-(1-amino-2-methylpropan-2-yl)-1-tert-butylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-1-tert-butylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-1-tert-butylpyrazole-4-carboxamide;hydrochloride is CC(C)(CN)NC(=O)c1cnn(C(C)(C)C)c1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-1-tert-butylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is PVWVJVUXFGRSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O.ClH/c1-11(2,3)16-7-9(6-14-16)10(17)15-12(4,5)8-13;/h6-7H,8,13H2,1-5H3,(H,15,17);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-1-tert-butylpyrazole-4-carboxamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-1-tert-butylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 274.80 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-1-tert-butylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119521550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).