4-amino-1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide

C11H20N4O2 — CID 79248411

IUPAC4-amino-1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N[C@H](CO)C(C)C)n1
InChIInChI=1S/C11H20N4O2/c1-4-15-5-8(12)10(14-15)11(17)13-9(6-16)7(2)3/h5,7,9,16H,4,6,12H2,1-3H3,(H,13,17)/t9-/m1/s1
InChIKeyFOPCJHUCPWOMLU-SECBINFHSA-N
MW240.31 g/mol
LogP0.23
Rot. Bonds5

About 4-amino-1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide

4-amino-1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide (PubChem CID 79248411) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide
PubChem CID79248411
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-amino-1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N[C@H](CO)C(C)C)n1
InChIInChI=1S/C11H20N4O2/c1-4-15-5-8(12)10(14-15)11(17)13-9(6-16)7(2)3/h5,7,9,16H,4,6,12H2,1-3H3,(H,13,17)/t9-/m1/s1
InChIKeyFOPCJHUCPWOMLU-SECBINFHSA-N
XLogP0.23
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-butylureido)-1-ethyl-1H-pyrazole-5-carboxamide
CID 661464
(4-Amino-2-methyl-2H-pyrazol-3-yl)-morpholin-4-yl-methanone
CID 739809
4-amino-N,1-diethyl-1H-pyrazole-5-carboxamide
CID 19620408
4-amino-N,1-dimethyl-1H-pyrazole-3-carboxamide hydrochloride
CID 44630897
4-amino-N-cyclobutyl-1-methyl-1H-pyrazole-3-carboxamide
CID 65354000
N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19398373
4-amino-1-ethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 19620467
4-amino-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-(2-ethylbutyl)pyrazole-3-carboxamide
CID 137637128
N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-1-(2-ethylbutyl)pyrazole-3-carboxamide
CID 137648503
4-amino-N-(1-hydroxypropan-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 65355215
1-ethyl-4-[(N-propylcarbamoyl)amino]pyrazole-3-carboxamide
CID 17380916
4-Cyclohexaneamido-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 19410657

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide (CID 79248411) is 4-amino-1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)N[C@H](CO)C(C)C)n1.
What is the InChIKey of 4-amino-1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide?
The InChIKey is FOPCJHUCPWOMLU-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-15-5-8(12)10(14-15)11(17)13-9(6-16)7(2)3/h5,7,9,16H,4,6,12H2,1-3H3,(H,13,17)/t9-/m1/s1.
What are the key properties of 4-amino-1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide?
4-amino-1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 79248411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).