4-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-5-carboxamide

C12H22N4O — CID 55178217

IUPAC4-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1[nH]ncc1N
InChIInChI=1S/C12H22N4O/c1-11(2,3)7-12(4,5)15-10(17)9-8(13)6-14-16-9/h6H,7,13H2,1-5H3,(H,14,16)(H,15,17)
InChIKeyBBPJLEPLSQIXBW-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.94
Rot. Bonds3

About 4-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-5-carboxamide

4-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 55178217) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID55178217
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1[nH]ncc1N
InChIInChI=1S/C12H22N4O/c1-11(2,3)7-12(4,5)15-10(17)9-8(13)6-14-16-9/h6H,7,13H2,1-5H3,(H,14,16)(H,15,17)
InChIKeyBBPJLEPLSQIXBW-UHFFFAOYSA-N
XLogP1.94
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrazole-5-carboxamide
CID 114176687
4-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-5-carboxamide
CID 63863361
N-(1-amino-2-methylpropan-2-yl)-4-methyl-1H-pyrazole-5-carboxamide
CID 83617586
4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide
CID 63106670
3-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62808107
4-amino-N-(2,3-dimethylbutyl)-1H-pyrazole-5-carboxamide
CID 64570387
4-amino-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-5-carboxamide
CID 107210477
5-amino-N-(2,4,4-trimethylpentan-2-yl)-2H-triazole-4-carboxamide
CID 110484968
4-amino-N-but-3-yn-2-yl-1H-pyrazole-5-carboxamide
CID 114414627
4-amino-N-[2-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 63102506
4-[(2,4,4-trimethylpentan-2-ylamino)methyl]-1H-pyrazole-5-carboxylic acid
CID 114274537
4-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide
CID 63101763

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-5-carboxamide (CID 55178217) is 4-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-5-carboxamide is CC(C)(C)CC(C)(C)NC(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is BBPJLEPLSQIXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-11(2,3)7-12(4,5)15-10(17)9-8(13)6-14-16-9/h6H,7,13H2,1-5H3,(H,14,16)(H,15,17).
What are the key properties of 4-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-5-carboxamide?
4-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 55178217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).