N-ethyl-4-hydroxy-3-methyl-1H-pyrazole-5-carboxamide

C7H11N3O2 — CID 137274238

IUPACN-ethyl-4-hydroxy-3-methyl-1H-pyrazole-5-carboxamide
SMILESCCNC(=O)c1[nH]nc(C)c1O
InChIInChI=1S/C7H11N3O2/c1-3-8-7(12)5-6(11)4(2)9-10-5/h11H,3H2,1-2H3,(H,8,12)(H,9,10)
InChIKeyNIGSGNAEKWHEQL-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.17
Rot. Bonds2

About N-ethyl-4-hydroxy-3-methyl-1H-pyrazole-5-carboxamide

N-ethyl-4-hydroxy-3-methyl-1H-pyrazole-5-carboxamide (PubChem CID 137274238) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-ethyl-4-hydroxy-3-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-hydroxy-3-methyl-1H-pyrazole-5-carboxamide
PubChem CID137274238
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-ethyl-4-hydroxy-3-methyl-1H-pyrazole-5-carboxamide
SMILESCCNC(=O)c1[nH]nc(C)c1O
InChIInChI=1S/C7H11N3O2/c1-3-8-7(12)5-6(11)4(2)9-10-5/h11H,3H2,1-2H3,(H,8,12)(H,9,10)
InChIKeyNIGSGNAEKWHEQL-UHFFFAOYSA-N
XLogP0.17
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-hydroxy-3-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-ethyl-4-hydroxy-3-methyl-1H-pyrazole-5-carboxamide (CID 137274238) is N-ethyl-4-hydroxy-3-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-ethyl-4-hydroxy-3-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-ethyl-4-hydroxy-3-methyl-1H-pyrazole-5-carboxamide is CCNC(=O)c1[nH]nc(C)c1O.
What is the InChIKey of N-ethyl-4-hydroxy-3-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is NIGSGNAEKWHEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-3-8-7(12)5-6(11)4(2)9-10-5/h11H,3H2,1-2H3,(H,8,12)(H,9,10).
What are the key properties of N-ethyl-4-hydroxy-3-methyl-1H-pyrazole-5-carboxamide?
N-ethyl-4-hydroxy-3-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 169.18 g/mol, XLogP of 0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-hydroxy-3-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 137274238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).