3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide

C10H17N3O2 — CID 102810885

IUPAC3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N[C@H](C)CO
InChIInChI=1S/C10H17N3O2/c1-4-9-8(5-13(3)12-9)10(15)11-7(2)6-14/h5,7,14H,4,6H2,1-3H3,(H,11,15)/t7-/m1/s1
InChIKeyDJKYVDNFBANPDA-SSDOTTSWSA-N
MW211.26 g/mol
LogP0.09
Rot. Bonds4

About 3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide

3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 102810885) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide
PubChem CID102810885
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N[C@H](C)CO
InChIInChI=1S/C10H17N3O2/c1-4-9-8(5-13(3)12-9)10(15)11-7(2)6-14/h5,7,14H,4,6H2,1-3H3,(H,11,15)/t7-/m1/s1
InChIKeyDJKYVDNFBANPDA-SSDOTTSWSA-N
XLogP0.09
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102809915
3-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)-1-methylpyrazole-4-carboxamide
CID 103894208
methyl 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate
CID 104964317
2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoic acid
CID 102810054
N-but-3-yn-2-yl-3-ethyl-1-methylpyrazole-4-carboxamide
CID 104919693
(2R)-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 114004974
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811310
3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide
CID 103894225
N-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103893927
3-ethyl-1-methyl-N-(1-piperidin-4-ylethyl)pyrazole-4-carboxamide
CID 102810373
4-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylbutanoic acid
CID 102810267
3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide
CID 166195891

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide (CID 102810885) is 3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)N[C@H](C)CO.
What is the InChIKey of 3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is DJKYVDNFBANPDA-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-9-8(5-13(3)12-9)10(15)11-7(2)6-14/h5,7,14H,4,6H2,1-3H3,(H,11,15)/t7-/m1/s1.
What are the key properties of 3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide?
3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 102810885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).