2-(3,5-dimethylpyrazol-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide

C15H25N3O2 — CID 111446024

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
SMILESCc1cc(C)n(C(C)C(=O)NCC2(O)CCCCC2)n1
InChIInChI=1S/C15H25N3O2/c1-11-9-12(2)18(17-11)13(3)14(19)16-10-15(20)7-5-4-6-8-15/h9,13,20H,4-8,10H2,1-3H3,(H,16,19)
InChIKeyDRUIFVNRQFNZJV-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.87
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide

2-(3,5-dimethylpyrazol-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide (PubChem CID 111446024) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
PubChem CID111446024
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
SMILESCc1cc(C)n(C(C)C(=O)NCC2(O)CCCCC2)n1
InChIInChI=1S/C15H25N3O2/c1-11-9-12(2)18(17-11)13(3)14(19)16-10-15(20)7-5-4-6-8-15/h9,13,20H,4-8,10H2,1-3H3,(H,16,19)
InChIKeyDRUIFVNRQFNZJV-UHFFFAOYSA-N
XLogP1.87
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936610
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide
CID 47986094
2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
CID 131134395
N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 66126067
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426633
N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519
(2S)-N-(2-anilinoethyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 95980716
N-[(1-hydroxycyclohexyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 131912764
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
CID 77080131
N-[(1-hydroxycyclohexyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111485768
N-[(1-hydroxycyclopentyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 113236280
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430633

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide (CID 111446024) is 2-(3,5-dimethylpyrazol-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide is Cc1cc(C)n(C(C)C(=O)NCC2(O)CCCCC2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide?
The InChIKey is DRUIFVNRQFNZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11-9-12(2)18(17-11)13(3)14(19)16-10-15(20)7-5-4-6-8-15/h9,13,20H,4-8,10H2,1-3H3,(H,16,19).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide has a molecular weight of 279.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide is sourced from PubChem (CID 111446024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).