3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide

C18H24N4O — CID 122274054

IUPAC3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
SMILESCn1nccc1-c1cncc(CNC(=O)CCC2CCCC2)c1
InChIInChI=1S/C18H24N4O/c1-22-17(8-9-21-22)16-10-15(11-19-13-16)12-20-18(23)7-6-14-4-2-3-5-14/h8-11,13-14H,2-7,12H2,1H3,(H,20,23)
InChIKeyKLTNTUAKXGSIJQ-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.07
Rot. Bonds6

About 3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide

3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide (PubChem CID 122274054) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
PubChem CID122274054
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
SMILESCn1nccc1-c1cncc(CNC(=O)CCC2CCCC2)c1
InChIInChI=1S/C18H24N4O/c1-22-17(8-9-21-22)16-10-15(11-19-13-16)12-20-18(23)7-6-14-4-2-3-5-14/h8-11,13-14H,2-7,12H2,1H3,(H,20,23)
InChIKeyKLTNTUAKXGSIJQ-UHFFFAOYSA-N
XLogP3.07
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274163
3-(3,4-dichlorophenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122273952
3-(2-methylphenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 119105165
1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274156
1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethyl)urea
CID 122274126
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide
CID 122274062
(1-methylpiperidin-4-yl) N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate
CID 122274109
2-(1-methylindol-3-yl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide
CID 122273990
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 122274120
1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(naphthalen-1-ylmethyl)urea
CID 121022416
1-[(2,4-difluorophenyl)methyl]-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274137
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide
CID 122274023

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide (CID 122274054) is 3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide is Cn1nccc1-c1cncc(CNC(=O)CCC2CCCC2)c1.
What is the InChIKey of 3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide?
The InChIKey is KLTNTUAKXGSIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-22-17(8-9-21-22)16-10-15(11-19-13-16)12-20-18(23)7-6-14-4-2-3-5-14/h8-11,13-14H,2-7,12H2,1H3,(H,20,23).
What are the key properties of 3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide?
3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide has a molecular weight of 312.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 122274054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).