N-(3-amino-2,2-dimethylpropyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide

C14H26N4O — CID 79667677

IUPACN-(3-amino-2,2-dimethylpropyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
SMILESCCCN(CC(C)(C)CN)C(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C14H26N4O/c1-6-7-18(9-14(4,5)8-15)13(19)12-10(2)16-17-11(12)3/h6-9,15H2,1-5H3,(H,16,17)
InChIKeyOCGOHRJYEBLRRJ-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.86
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide

N-(3-amino-2,2-dimethylpropyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide (PubChem CID 79667677) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
PubChem CID79667677
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
SMILESCCCN(CC(C)(C)CN)C(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C14H26N4O/c1-6-7-18(9-14(4,5)8-15)13(19)12-10(2)16-17-11(12)3/h6-9,15H2,1-5H3,(H,16,17)
InChIKeyOCGOHRJYEBLRRJ-UHFFFAOYSA-N
XLogP1.86
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N~1~-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-D-leucinamide
CID 90647268
N~1~-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N~1~-methyl-L-isoleucinamide
CID 90649673
N~1~-(tert-butyl)-N~3~-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N~3~-methyl-beta-alaninamide
CID 91830246
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide
CID 99949285
3,5-dimethyl-N-[(6S)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-pyrazole-4-carboxamide
CID 100751184
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide
CID 124753671
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
CID 125521588
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-2H-triazole-4-carboxamide
CID 125524479
5-methyl-3-propan-2-yl-N-[(3S)-1,1,1-trifluoropentan-3-yl]-1H-pyrazole-4-carboxamide
CID 164638120
N-cyclopropyl-3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 153981152
3-(difluoromethyl)-N,N,5-trimethyl-1H-pyrazole-4-carboxamide
CID 176912979
N-((1r,4r)-4-aminocyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 55062584

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide (CID 79667677) is N-(3-amino-2,2-dimethylpropyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide is CCCN(CC(C)(C)CN)C(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide?
The InChIKey is OCGOHRJYEBLRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-7-18(9-14(4,5)8-15)13(19)12-10(2)16-17-11(12)3/h6-9,15H2,1-5H3,(H,16,17).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide has a molecular weight of 266.39 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 79667677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).