N-[(4-ethylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide

C16H27N3O — CID 51093610

IUPACN-[(4-ethylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCCC1CCC(CNC(=O)CCc2cnn(C)c2)CC1
InChIInChI=1S/C16H27N3O/c1-3-13-4-6-14(7-5-13)10-17-16(20)9-8-15-11-18-19(2)12-15/h11-14H,3-10H2,1-2H3,(H,17,20)
InChIKeyOLQSGIYGGFJKAJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.69
Rot. Bonds6

About N-[(4-ethylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide

N-[(4-ethylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 51093610) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID51093610
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCCC1CCC(CNC(=O)CCc2cnn(C)c2)CC1
InChIInChI=1S/C16H27N3O/c1-3-13-4-6-14(7-5-13)10-17-16(20)9-8-15-11-18-19(2)12-15/h11-14H,3-10H2,1-2H3,(H,17,20)
InChIKeyOLQSGIYGGFJKAJ-UHFFFAOYSA-N
XLogP2.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide (CID 51093610) is N-[(4-ethylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide is CCC1CCC(CNC(=O)CCc2cnn(C)c2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is OLQSGIYGGFJKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-13-4-6-14(7-5-13)10-17-16(20)9-8-15-11-18-19(2)12-15/h11-14H,3-10H2,1-2H3,(H,17,20).
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[(4-ethylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 277.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 51093610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).