5-ethyl-1-pentan-3-yl-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrazole-4-carboxamide

C20H28N4O — CID 119047864

IUPAC5-ethyl-1-pentan-3-yl-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC2(c3ccccn3)CC2)cnn1C(CC)CC
InChIInChI=1S/C20H28N4O/c1-4-15(5-2)24-17(6-3)16(13-23-24)19(25)22-14-20(10-11-20)18-9-7-8-12-21-18/h7-9,12-13,15H,4-6,10-11,14H2,1-3H3,(H,22,25)
InChIKeyUEQBXGIDQTZXQI-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.66
Rot. Bonds8

About 5-ethyl-1-pentan-3-yl-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrazole-4-carboxamide

5-ethyl-1-pentan-3-yl-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrazole-4-carboxamide (PubChem CID 119047864) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 5-ethyl-1-pentan-3-yl-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-pentan-3-yl-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrazole-4-carboxamide
PubChem CID119047864
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name5-ethyl-1-pentan-3-yl-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC2(c3ccccn3)CC2)cnn1C(CC)CC
InChIInChI=1S/C20H28N4O/c1-4-15(5-2)24-17(6-3)16(13-23-24)19(25)22-14-20(10-11-20)18-9-7-8-12-21-18/h7-9,12-13,15H,4-6,10-11,14H2,1-3H3,(H,22,25)
InChIKeyUEQBXGIDQTZXQI-UHFFFAOYSA-N
XLogP3.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-pyridin-2-ylcyclopropyl)methyl]-2,3-dihydro-1H-indene-4-carboxamide
CID 126807843
4-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]butanamide
CID 110479887
5-methyl-N-[(1-pyridin-2-ylcyclopropyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 86815537
1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea
CID 110478720
6-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]hexanamide
CID 110482606
5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 119433437
2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
CID 110483352
N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 44565261
N-[(1-pyridin-2-ylcyclopropyl)methyl]-2-thiophen-2-ylacetamide
CID 110483280
methyl 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]-2-pyridin-2-ylacetate
CID 126807126
3-(4-propoxyphenyl)-N-[(1-pyridin-2-ylcyclopropyl)methyl]propanamide
CID 86789127
(3R)-1-benzyl-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 124617392

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-pentan-3-yl-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-pentan-3-yl-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrazole-4-carboxamide (CID 119047864) is 5-ethyl-1-pentan-3-yl-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-pentan-3-yl-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-pentan-3-yl-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrazole-4-carboxamide is CCc1c(C(=O)NCC2(c3ccccn3)CC2)cnn1C(CC)CC.
What is the InChIKey of 5-ethyl-1-pentan-3-yl-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrazole-4-carboxamide?
The InChIKey is UEQBXGIDQTZXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-4-15(5-2)24-17(6-3)16(13-23-24)19(25)22-14-20(10-11-20)18-9-7-8-12-21-18/h7-9,12-13,15H,4-6,10-11,14H2,1-3H3,(H,22,25).
What are the key properties of 5-ethyl-1-pentan-3-yl-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrazole-4-carboxamide?
5-ethyl-1-pentan-3-yl-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrazole-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-pentan-3-yl-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 119047864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).