N-(1-aminopropan-2-yl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide

C12H22N4O — CID 119584562

IUPACN-(1-aminopropan-2-yl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide
SMILESCC(CN)N(C)C(=O)c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C12H22N4O/c1-8(7-13)16(5)11(17)9-6-10(15-14-9)12(2,3)4/h6,8H,7,13H2,1-5H3,(H,14,15)
InChIKeyYODAJLJBGXGKAC-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.13
Rot. Bonds3

About N-(1-aminopropan-2-yl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide

N-(1-aminopropan-2-yl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 119584562) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID119584562
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-(1-aminopropan-2-yl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide
SMILESCC(CN)N(C)C(=O)c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C12H22N4O/c1-8(7-13)16(5)11(17)9-6-10(15-14-9)12(2,3)4/h6,8H,7,13H2,1-5H3,(H,14,15)
InChIKeyYODAJLJBGXGKAC-UHFFFAOYSA-N
XLogP1.13
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119660642
N-(2-aminopropyl)-5-tert-butyl-1H-pyrazole-3-carboxamide
CID 110833128
3-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190641
5-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 78881499
N-(3-aminopropyl)-N-benzyl-5-tert-butyl-1H-pyrazole-3-carboxamide
CID 120648409
2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]acetic acid
CID 110835219
N-(1-aminopropan-2-yl)-N,6-dimethylpyridine-2-carboxamide
CID 82507394
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylpropanamide
CID 104618640
5-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 78881544
5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 78880740
N-(1-aminopropan-2-yl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119581386
N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide
CID 178112245

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide (CID 119584562) is N-(1-aminopropan-2-yl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide is CC(CN)N(C)C(=O)c1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of N-(1-aminopropan-2-yl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is YODAJLJBGXGKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(7-13)16(5)11(17)9-6-10(15-14-9)12(2,3)4/h6,8H,7,13H2,1-5H3,(H,14,15).
What are the key properties of N-(1-aminopropan-2-yl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide?
N-(1-aminopropan-2-yl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 119584562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).