N-(1-amino-2-methylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride

C13H25ClN4O — CID 119521515

IUPACN-(1-amino-2-methylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC(C)(C)CN)cnn1C(C)(C)C.Cl
InChIInChI=1S/C13H24N4O.ClH/c1-9-10(7-15-17(9)12(2,3)4)11(18)16-13(5,6)8-14;/h7H,8,14H2,1-6H3,(H,16,18);1H
InChIKeyPCIPXJGDWBDFCV-UHFFFAOYSA-N
MW288.82 g/mol
LogP1.84
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119521515) has the molecular formula C13H25ClN4O and a molecular weight of 288.82 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride
PubChem CID119521515
Molecular FormulaC13H25ClN4O
Molecular Weight288.82 g/mol
Exact Mass288.17
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC(C)(C)CN)cnn1C(C)(C)C.Cl
InChIInChI=1S/C13H24N4O.ClH/c1-9-10(7-15-17(9)12(2,3)4)11(18)16-13(5,6)8-14;/h7H,8,14H2,1-6H3,(H,16,18);1H
InChIKeyPCIPXJGDWBDFCV-UHFFFAOYSA-N
XLogP1.84
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide
CID 119572405
N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119600722
N-(1-amino-2-methylpropan-2-yl)-1-tert-butylpyrazole-4-carboxamide;hydrochloride
CID 119521550
[2-(1-tert-butyl-5-methylpyrazol-4-yl)-2-oxoethyl]phosphonic acid
CID 141201173
1-tert-butyl-N-[(2R)-2-(ethylamino)propyl]-5-methylpyrazole-4-carboxamide
CID 120654519
(2S)-2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 119361432
N-[3-(aminomethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119570951
1-tert-butyl-5-methyl-N-(4-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxamide
CID 100647431
N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzamide;hydrochloride
CID 119523285
1-tert-butyl-5-methyl-N-(1-methylcyclopropyl)sulfonylpyrazole-4-carboxamide
CID 136542586
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide
CID 120605651
1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818036

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride (CID 119521515) is N-(1-amino-2-methylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NC(C)(C)CN)cnn1C(C)(C)C.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is PCIPXJGDWBDFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O.ClH/c1-9-10(7-15-17(9)12(2,3)4)11(18)16-13(5,6)8-14;/h7H,8,14H2,1-6H3,(H,16,18);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 288.82 g/mol, XLogP of 1.84, 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-butyl-5-methylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119521515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).