1-ethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-propan-2-ylpyrazole-5-carboxamide

C20H25N5O — CID 125161306

IUPAC1-ethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)N[C@H](c1ccccc1)c1nccn1C
InChIInChI=1S/C20H25N5O/c1-5-25-17(13-16(23-25)14(2)3)20(26)22-18(15-9-7-6-8-10-15)19-21-11-12-24(19)4/h6-14,18H,5H2,1-4H3,(H,22,26)/t18-/m1/s1
InChIKeyCRVKDCUMFUCDCQ-GOSISDBHSA-N
MW351.45 g/mol
LogP3.28
Rot. Bonds6

About 1-ethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-propan-2-ylpyrazole-5-carboxamide

1-ethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 125161306) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-ethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID125161306
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name1-ethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)N[C@H](c1ccccc1)c1nccn1C
InChIInChI=1S/C20H25N5O/c1-5-25-17(13-16(23-25)14(2)3)20(26)22-18(15-9-7-6-8-10-15)19-21-11-12-24(19)4/h6-14,18H,5H2,1-4H3,(H,22,26)/t18-/m1/s1
InChIKeyCRVKDCUMFUCDCQ-GOSISDBHSA-N
XLogP3.28
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-propan-2-ylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
2-methylpropyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate
CID 110429248
N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 42924147
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 31356933
2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17406821
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
(2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide
CID 107569369
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17451841
N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-oxazole-5-carboxamide
CID 90651379

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-propan-2-ylpyrazole-5-carboxamide (CID 125161306) is 1-ethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-propan-2-ylpyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)N[C@H](c1ccccc1)c1nccn1C.
What is the InChIKey of 1-ethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is CRVKDCUMFUCDCQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N5O/c1-5-25-17(13-16(23-25)14(2)3)20(26)22-18(15-9-7-6-8-10-15)19-21-11-12-24(19)4/h6-14,18H,5H2,1-4H3,(H,22,26)/t18-/m1/s1.
What are the key properties of 1-ethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-propan-2-ylpyrazole-5-carboxamide?
1-ethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 125161306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).