4-amino-N-(2,3-dimethylbutyl)-1H-pyrazole-5-carboxamide

C10H18N4O — CID 64570387

IUPAC4-amino-N-(2,3-dimethylbutyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)C(C)CNC(=O)c1[nH]ncc1N
InChIInChI=1S/C10H18N4O/c1-6(2)7(3)4-12-10(15)9-8(11)5-13-14-9/h5-7H,4,11H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyJDHHPVUFACYBRH-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.01
Rot. Bonds4

About 4-amino-N-(2,3-dimethylbutyl)-1H-pyrazole-5-carboxamide

4-amino-N-(2,3-dimethylbutyl)-1H-pyrazole-5-carboxamide (PubChem CID 64570387) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-amino-N-(2,3-dimethylbutyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dimethylbutyl)-1H-pyrazole-5-carboxamide
PubChem CID64570387
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-amino-N-(2,3-dimethylbutyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)C(C)CNC(=O)c1[nH]ncc1N
InChIInChI=1S/C10H18N4O/c1-6(2)7(3)4-12-10(15)9-8(11)5-13-14-9/h5-7H,4,11H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyJDHHPVUFACYBRH-UHFFFAOYSA-N
XLogP1.01
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 63102506
4-amino-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-5-carboxamide
CID 107210477
4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide
CID 63106670
4-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrazole-5-carboxamide
CID 114176687
4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 82944742
4-amino-N-but-3-yn-2-yl-1H-pyrazole-5-carboxamide
CID 114414627
4-amino-N-(2,3-dimethylbutyl)-1-methylpyrazole-5-carboxamide
CID 65359284
4-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide
CID 63101763
4-amino-N-methyl-N-propan-2-yl-1H-pyrazole-5-carboxamide
CID 63106676
4-amino-N-(2,3-dimethylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 64570786
4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 63102891
5-amino-N-(2,3-dimethylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 64583560

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dimethylbutyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,3-dimethylbutyl)-1H-pyrazole-5-carboxamide (CID 64570387) is 4-amino-N-(2,3-dimethylbutyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,3-dimethylbutyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,3-dimethylbutyl)-1H-pyrazole-5-carboxamide is CC(C)C(C)CNC(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-(2,3-dimethylbutyl)-1H-pyrazole-5-carboxamide?
The InChIKey is JDHHPVUFACYBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-6(2)7(3)4-12-10(15)9-8(11)5-13-14-9/h5-7H,4,11H2,1-3H3,(H,12,15)(H,13,14).
What are the key properties of 4-amino-N-(2,3-dimethylbutyl)-1H-pyrazole-5-carboxamide?
4-amino-N-(2,3-dimethylbutyl)-1H-pyrazole-5-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dimethylbutyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64570387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).