5-ethyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide

C18H22N6O — CID 74234527

IUPAC5-ethyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)N(CCCn2ccnc2)Cc2ccncc2)n[nH]1
InChIInChI=1S/C18H22N6O/c1-2-16-12-17(22-21-16)18(25)24(13-15-4-6-19-7-5-15)10-3-9-23-11-8-20-14-23/h4-8,11-12,14H,2-3,9-10,13H2,1H3,(H,21,22)
InChIKeyWUBDZSATPQUTNX-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.30
Rot. Bonds8

About 5-ethyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide

5-ethyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 74234527) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 5-ethyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID74234527
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name5-ethyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)N(CCCn2ccnc2)Cc2ccncc2)n[nH]1
InChIInChI=1S/C18H22N6O/c1-2-16-12-17(22-21-16)18(25)24(13-15-4-6-19-7-5-15)10-3-9-23-11-8-20-14-23/h4-8,11-12,14H,2-3,9-10,13H2,1H3,(H,21,22)
InChIKeyWUBDZSATPQUTNX-UHFFFAOYSA-N
XLogP2.30
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide
CID 56918772
4-chloro-N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 74250549
N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)isoquinoline-1-carboxamide
CID 46982202
N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47558539
(3S)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 99943887
N-(1,3-benzodioxol-5-ylmethyl)-5-propyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 46990396
4-(hydroxymethyl)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)benzamide
CID 46982431
3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42699795
3-imidazol-1-yl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
CID 77094846
N-[(4-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-1-benzothiophene-3-carboxamide
CID 112805655
1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(thiophen-2-ylmethyl)urea
CID 55766950
3-(2,4-difluorophenyl)-1-[[4-(dimethylamino)phenyl]methyl]-1-(3-imidazol-1-ylpropyl)urea
CID 42706560

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide (CID 74234527) is 5-ethyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide is CCc1cc(C(=O)N(CCCn2ccnc2)Cc2ccncc2)n[nH]1.
What is the InChIKey of 5-ethyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is WUBDZSATPQUTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-2-16-12-17(22-21-16)18(25)24(13-15-4-6-19-7-5-15)10-3-9-23-11-8-20-14-23/h4-8,11-12,14H,2-3,9-10,13H2,1H3,(H,21,22).
What are the key properties of 5-ethyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide?
5-ethyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 74234527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).