1-ethyl-N-[3-(1H-imidazol-5-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide

C18H21N5O — CID 131926620

IUPAC1-ethyl-N-[3-(1H-imidazol-5-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)Nc1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C18H21N5O/c1-4-23-17(9-15(22-23)12(2)3)18(24)21-14-7-5-6-13(8-14)16-10-19-11-20-16/h5-12H,4H2,1-3H3,(H,19,20)(H,21,24)
InChIKeyKBLALNUUKUACEF-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.67
Rot. Bonds5

About 1-ethyl-N-[3-(1H-imidazol-5-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide

1-ethyl-N-[3-(1H-imidazol-5-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 131926620) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-ethyl-N-[3-(1H-imidazol-5-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[3-(1H-imidazol-5-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID131926620
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name1-ethyl-N-[3-(1H-imidazol-5-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)Nc1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C18H21N5O/c1-4-23-17(9-15(22-23)12(2)3)18(24)21-14-7-5-6-13(8-14)16-10-19-11-20-16/h5-12H,4H2,1-3H3,(H,19,20)(H,21,24)
InChIKeyKBLALNUUKUACEF-UHFFFAOYSA-N
XLogP3.67
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 71935421
1-[2-(dimethylamino)ethyl]-1-ethyl-3-[3-(1H-imidazol-5-yl)phenyl]urea
CID 118778285
N-[3-(1H-imidazol-5-yl)phenyl]-3,3-dimethylbutanamide
CID 110668596
N-[3-(1H-imidazol-5-yl)phenyl]-3,5-dimethoxybenzamide
CID 110668555
3-[[3-(1H-imidazol-5-yl)phenyl]carbamoyl-methylamino]-N-methylbutanamide
CID 118774173
N-[3-(1H-imidazol-5-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 131951100
N-[3-(1H-imidazol-5-yl)phenyl]-1H-indole-7-carboxamide
CID 131921284
1-ethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 131897060
1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(1H-imidazol-5-yl)phenyl]urea
CID 126428144
N-[3-(1H-imidazol-5-yl)phenyl]cyclopentanecarboxamide
CID 110668538
N-[3-(1-aminoethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide
CID 66121775
ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 176998703

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[3-(1H-imidazol-5-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[3-(1H-imidazol-5-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide (CID 131926620) is 1-ethyl-N-[3-(1H-imidazol-5-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[3-(1H-imidazol-5-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[3-(1H-imidazol-5-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)Nc1cccc(-c2cnc[nH]2)c1.
What is the InChIKey of 1-ethyl-N-[3-(1H-imidazol-5-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is KBLALNUUKUACEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-4-23-17(9-15(22-23)12(2)3)18(24)21-14-7-5-6-13(8-14)16-10-19-11-20-16/h5-12H,4H2,1-3H3,(H,19,20)(H,21,24).
What are the key properties of 1-ethyl-N-[3-(1H-imidazol-5-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide?
1-ethyl-N-[3-(1H-imidazol-5-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[3-(1H-imidazol-5-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 131926620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).