2-(1-methylcyclohexyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide

C15H25N3O — CID 97241002

IUPAC2-(1-methylcyclohexyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CC1(C)CCCCC1)c1cnn(C)c1
InChIInChI=1S/C15H25N3O/c1-12(13-10-16-18(3)11-13)17-14(19)9-15(2)7-5-4-6-8-15/h10-12H,4-9H2,1-3H3,(H,17,19)/t12-/m1/s1
InChIKeyIJGGWHDUDHYQJL-GFCCVEGCSA-N
MW263.38 g/mol
LogP2.96
Rot. Bonds4

About 2-(1-methylcyclohexyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide

2-(1-methylcyclohexyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide (PubChem CID 97241002) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(1-methylcyclohexyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-methylcyclohexyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide
PubChem CID97241002
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(1-methylcyclohexyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CC1(C)CCCCC1)c1cnn(C)c1
InChIInChI=1S/C15H25N3O/c1-12(13-10-16-18(3)11-13)17-14(19)9-15(2)7-5-4-6-8-15/h10-12H,4-9H2,1-3H3,(H,17,19)/t12-/m1/s1
InChIKeyIJGGWHDUDHYQJL-GFCCVEGCSA-N
XLogP2.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 45147216
2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 110470530
1-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119322404
3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 119945380
1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 35276366
N-(2-aminoethyl)-N'-[1-(1-methylpyrazol-4-yl)ethyl]oxamide
CID 114286312
N-[(4-methyloxan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 103903333
2-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]pentanamide;hydrochloride
CID 119322411
(1-methylcyclohexyl)-(1-methylpyrazol-4-yl)methanol
CID 106830809
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 97347944
N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111538964
2-[(2S)-1,4-dithian-2-yl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 97239921

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclohexyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(1-methylcyclohexyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide (CID 97241002) is 2-(1-methylcyclohexyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-methylcyclohexyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-methylcyclohexyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide is C[C@@H](NC(=O)CC1(C)CCCCC1)c1cnn(C)c1.
What is the InChIKey of 2-(1-methylcyclohexyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is IJGGWHDUDHYQJL-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(13-10-16-18(3)11-13)17-14(19)9-15(2)7-5-4-6-8-15/h10-12H,4-9H2,1-3H3,(H,17,19)/t12-/m1/s1.
What are the key properties of 2-(1-methylcyclohexyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide?
2-(1-methylcyclohexyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 263.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclohexyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 97241002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).