3-amino-N-butan-2-yl-1-ethylpyrazole-5-carboxamide

C10H18N4O — CID 122171294

IUPAC3-amino-N-butan-2-yl-1-ethylpyrazole-5-carboxamide
SMILESCCC(C)NC(=O)c1cc(N)nn1CC
InChIInChI=1S/C10H18N4O/c1-4-7(3)12-10(15)8-6-9(11)13-14(8)5-2/h6-7H,4-5H2,1-3H3,(H2,11,13)(H,12,15)
InChIKeyQSLZXEZWMVOJSN-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.01
Rot. Bonds4

About 3-amino-N-butan-2-yl-1-ethylpyrazole-5-carboxamide

3-amino-N-butan-2-yl-1-ethylpyrazole-5-carboxamide (PubChem CID 122171294) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-amino-N-butan-2-yl-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-butan-2-yl-1-ethylpyrazole-5-carboxamide
PubChem CID122171294
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-amino-N-butan-2-yl-1-ethylpyrazole-5-carboxamide
SMILESCCC(C)NC(=O)c1cc(N)nn1CC
InChIInChI=1S/C10H18N4O/c1-4-7(3)12-10(15)8-6-9(11)13-14(8)5-2/h6-7H,4-5H2,1-3H3,(H2,11,13)(H,12,15)
InChIKeyQSLZXEZWMVOJSN-UHFFFAOYSA-N
XLogP1.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide
CID 122171297
3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid
CID 43360868
3-amino-1-ethyl-N,N-bis(2-methylpropyl)pyrazole-5-carboxamide
CID 122171333
3-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-5-carboxamide
CID 132586373
3-amino-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide
CID 122171299
2-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-5-methylpyrazole-3-carboxamide
CID 96539646
N-(4-bromobutan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 83180018
N-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide
CID 93014221
(3-amino-1-ethylpyrazol-5-yl)-(azepan-1-yl)methanone
CID 117218466
3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide
CID 64524201
5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]hexanoic acid
CID 82845310
N-(1-aminobutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66121273

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butan-2-yl-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-butan-2-yl-1-ethylpyrazole-5-carboxamide (CID 122171294) is 3-amino-N-butan-2-yl-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-butan-2-yl-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-butan-2-yl-1-ethylpyrazole-5-carboxamide is CCC(C)NC(=O)c1cc(N)nn1CC.
What is the InChIKey of 3-amino-N-butan-2-yl-1-ethylpyrazole-5-carboxamide?
The InChIKey is QSLZXEZWMVOJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-7(3)12-10(15)8-6-9(11)13-14(8)5-2/h6-7H,4-5H2,1-3H3,(H2,11,13)(H,12,15).
What are the key properties of 3-amino-N-butan-2-yl-1-ethylpyrazole-5-carboxamide?
3-amino-N-butan-2-yl-1-ethylpyrazole-5-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butan-2-yl-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 122171294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).