N-ethyl-N-(3-hydroxypropyl)-1-phenylpyrazole-4-carboxamide

C15H19N3O2 — CID 115771673

IUPACN-ethyl-N-(3-hydroxypropyl)-1-phenylpyrazole-4-carboxamide
SMILESCCN(CCCO)C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H19N3O2/c1-2-17(9-6-10-19)15(20)13-11-16-18(12-13)14-7-4-3-5-8-14/h3-5,7-8,11-12,19H,2,6,9-10H2,1H3
InChIKeyFCJKALISXNONKQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.72
Rot. Bonds6

About N-ethyl-N-(3-hydroxypropyl)-1-phenylpyrazole-4-carboxamide

N-ethyl-N-(3-hydroxypropyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 115771673) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-1-phenylpyrazole-4-carboxamide
PubChem CID115771673
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-1-phenylpyrazole-4-carboxamide
SMILESCCN(CCCO)C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H19N3O2/c1-2-17(9-6-10-19)15(20)13-11-16-18(12-13)14-7-4-3-5-8-14/h3-5,7-8,11-12,19H,2,6,9-10H2,1H3
InChIKeyFCJKALISXNONKQ-UHFFFAOYSA-N
XLogP1.72
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-ethyl-1-phenylpyrazole-4-carboxamide
CID 61348348
2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 61022217
ethyl 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetate
CID 78901864
N-(2-chloroethyl)-1-phenyl-N-propylpyrazole-4-carboxamide
CID 63393118
N-ethyl-N-(3-hydroxypropyl)-2-phenyltriazole-4-carboxamide
CID 115771807
3-[[1-(4-bromophenyl)pyrazole-4-carbonyl]-ethylamino]propanoic acid
CID 119190871
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774
N-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 18116117
4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid
CID 43090429
N-cyclopropyl-N-(2-hydroxyethyl)-1-phenylpyrazole-4-carboxamide
CID 43576931
2-[2-methoxyethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 119189506
[2-(diethylamino)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate
CID 55425881

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-1-phenylpyrazole-4-carboxamide (CID 115771673) is N-ethyl-N-(3-hydroxypropyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-1-phenylpyrazole-4-carboxamide is CCN(CCCO)C(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is FCJKALISXNONKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-17(9-6-10-19)15(20)13-11-16-18(12-13)14-7-4-3-5-8-14/h3-5,7-8,11-12,19H,2,6,9-10H2,1H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-1-phenylpyrazole-4-carboxamide?
N-ethyl-N-(3-hydroxypropyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxypropyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 115771673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).