4-amino-N-butan-2-yl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide

C12H22N4O — CID 62075243

IUPAC4-amino-N-butan-2-yl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCCC(C)N(C)C(=O)c1n[nH]c(C(C)C)c1N
InChIInChI=1S/C12H22N4O/c1-6-8(4)16(5)12(17)11-9(13)10(7(2)3)14-15-11/h7-8H,6,13H2,1-5H3,(H,14,15)
InChIKeyHDAGFXDNKJONKQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.99
Rot. Bonds4

About 4-amino-N-butan-2-yl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-amino-N-butan-2-yl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 62075243) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-amino-N-butan-2-yl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-butan-2-yl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID62075243
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-amino-N-butan-2-yl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCCC(C)N(C)C(=O)c1n[nH]c(C(C)C)c1N
InChIInChI=1S/C12H22N4O/c1-6-8(4)16(5)12(17)11-9(13)10(7(2)3)14-15-11/h7-8H,6,13H2,1-5H3,(H,14,15)
InChIKeyHDAGFXDNKJONKQ-UHFFFAOYSA-N
XLogP1.99
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-propan-2-yl-N,N-bis(prop-2-enyl)-1H-pyrazole-3-carboxamide
CID 62076228
4-amino-N-pentyl-N,5-di(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 62076734
4-amino-N-(2-ethoxyethyl)-N-ethyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 55227290
4-amino-N-ethyl-5-propan-2-yl-N-pyridin-4-yl-1H-pyrazole-3-carboxamide
CID 106934373
4-amino-N-cycloheptyl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62075731
4-amino-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 62075087
4-amino-N-(2-hydroxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076723
4-amino-N-[(4-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076563
4-amino-N-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 63207158
4-amino-N-(cyclopropylmethyl)-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide
CID 62075249
3-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 110836568
4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076063

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butan-2-yl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-butan-2-yl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 62075243) is 4-amino-N-butan-2-yl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-butan-2-yl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-butan-2-yl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide is CCC(C)N(C)C(=O)c1n[nH]c(C(C)C)c1N.
What is the InChIKey of 4-amino-N-butan-2-yl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is HDAGFXDNKJONKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-6-8(4)16(5)12(17)11-9(13)10(7(2)3)14-15-11/h7-8H,6,13H2,1-5H3,(H,14,15).
What are the key properties of 4-amino-N-butan-2-yl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-amino-N-butan-2-yl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butan-2-yl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62075243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).