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

C14H23N3O2 — CID 111445880

IUPACN-[(1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NCC2(O)CCCCC2)cn1
InChIInChI=1S/C14H23N3O2/c1-17-10-12(9-16-17)5-6-13(18)15-11-14(19)7-3-2-4-8-14/h9-10,19H,2-8,11H2,1H3,(H,15,18)
InChIKeyGDNYVYBPIXNHFL-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.16
Rot. Bonds5

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

N-[(1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 111445880) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID111445880
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NCC2(O)CCCCC2)cn1
InChIInChI=1S/C14H23N3O2/c1-17-10-12(9-16-17)5-6-13(18)15-11-14(19)7-3-2-4-8-14/h9-10,19H,2-8,11H2,1H3,(H,15,18)
InChIKeyGDNYVYBPIXNHFL-UHFFFAOYSA-N
XLogP1.16
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R*,4R*)-3-cyclobutyl-4-methyl-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-pyrrolidinol
CID 72890787
N-[3-(1-methylpyrazol-4-yl)propyl]-2-[(3R)-oxan-3-yl]acetamide
CID 124625531
3-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 87023527
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
CID 112432794
N-[2-cyclohexyl-2-[3-(1-methylpyrazol-4-yl)butanoylamino]ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 167764956
N-[1-(methoxymethyl)cyclopentyl]-3-(1-methyl-1H-pyrazol-4-yl)propanamide
CID 77089232
N-[(4-ethylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 51093610
N-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 51698948
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 56787807
2-cyclohexyl-N-[1-(1-ethylpyrazol-4-yl)propyl]acetamide
CID 60311700
3-(1-methylpyrazol-4-yl)-N-pentan-3-ylpropanamide
CID 60527677
2-Acetamido-3-(1-ethylpyrazol-4-yl)propanoic acid
CID 64146606

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide (CID 111445880) is N-[(1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide is Cn1cc(CCC(=O)NCC2(O)CCCCC2)cn1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is GDNYVYBPIXNHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-17-10-12(9-16-17)5-6-13(18)15-11-14(19)7-3-2-4-8-14/h9-10,19H,2-8,11H2,1H3,(H,15,18).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[(1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 265.36 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 111445880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).