2-[4-[(2-cyclohexyl-2-methoxyethyl)amino]pyrazol-1-yl]-N-methylacetamide

C15H26N4O2 — CID 126831054

IUPAC2-[4-[(2-cyclohexyl-2-methoxyethyl)amino]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NCC(OC)C2CCCCC2)cn1
InChIInChI=1S/C15H26N4O2/c1-16-15(20)11-19-10-13(8-18-19)17-9-14(21-2)12-6-4-3-5-7-12/h8,10,12,14,17H,3-7,9,11H2,1-2H3,(H,16,20)
InChIKeyQSCITTJJKXWJBQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.64
Rot. Bonds7

About 2-[4-[(2-cyclohexyl-2-methoxyethyl)amino]pyrazol-1-yl]-N-methylacetamide

2-[4-[(2-cyclohexyl-2-methoxyethyl)amino]pyrazol-1-yl]-N-methylacetamide (PubChem CID 126831054) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[4-[(2-cyclohexyl-2-methoxyethyl)amino]pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(2-cyclohexyl-2-methoxyethyl)amino]pyrazol-1-yl]-N-methylacetamide
PubChem CID126831054
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-[4-[(2-cyclohexyl-2-methoxyethyl)amino]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NCC(OC)C2CCCCC2)cn1
InChIInChI=1S/C15H26N4O2/c1-16-15(20)11-19-10-13(8-18-19)17-9-14(21-2)12-6-4-3-5-7-12/h8,10,12,14,17H,3-7,9,11H2,1-2H3,(H,16,20)
InChIKeyQSCITTJJKXWJBQ-UHFFFAOYSA-N
XLogP1.64
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 60932315
2-[4-[(2,6-dimethylcyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide
CID 54866416
N-methyl-2-[4-(thian-4-ylamino)pyrazol-1-yl]acetamide
CID 54866384
2-[4-[(4-aminocyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide
CID 79730983
N-methyl-2-[4-(pyrrolidin-2-ylmethylamino)pyrazol-1-yl]acetamide
CID 106637998
2-[4-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 113354708
2-[4-[(2-ethyl-2-methylcyclopentyl)amino]pyrazol-1-yl]-N-methylacetamide
CID 131962116
2-[4-(cyclopentylmethylamino)pyrazol-1-yl]-N-cyclopropylacetamide
CID 62069655
2-[4-[(4-cyclopropylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 79968644
N-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide
CID 60932429
N-methyl-2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]acetamide
CID 64756991
2-[4-(1-methoxypropan-2-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 62534727

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-cyclohexyl-2-methoxyethyl)amino]pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(2-cyclohexyl-2-methoxyethyl)amino]pyrazol-1-yl]-N-methylacetamide (CID 126831054) is 2-[4-[(2-cyclohexyl-2-methoxyethyl)amino]pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(2-cyclohexyl-2-methoxyethyl)amino]pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(2-cyclohexyl-2-methoxyethyl)amino]pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(NCC(OC)C2CCCCC2)cn1.
What is the InChIKey of 2-[4-[(2-cyclohexyl-2-methoxyethyl)amino]pyrazol-1-yl]-N-methylacetamide?
The InChIKey is QSCITTJJKXWJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-16-15(20)11-19-10-13(8-18-19)17-9-14(21-2)12-6-4-3-5-7-12/h8,10,12,14,17H,3-7,9,11H2,1-2H3,(H,16,20).
What are the key properties of 2-[4-[(2-cyclohexyl-2-methoxyethyl)amino]pyrazol-1-yl]-N-methylacetamide?
2-[4-[(2-cyclohexyl-2-methoxyethyl)amino]pyrazol-1-yl]-N-methylacetamide has a molecular weight of 294.40 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-cyclohexyl-2-methoxyethyl)amino]pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 126831054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).