2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pyrazol-1-yl]-N-methylacetamide

C16H26N4O — CID 60932315

IUPAC2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NC2CCC3CCCCC3C2)cn1
InChIInChI=1S/C16H26N4O/c1-17-16(21)11-20-10-15(9-18-20)19-14-7-6-12-4-2-3-5-13(12)8-14/h9-10,12-14,19H,2-8,11H2,1H3,(H,17,21)
InChIKeyNHXXQFPWAKWUDS-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.40
Rot. Bonds4

About 2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pyrazol-1-yl]-N-methylacetamide

2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pyrazol-1-yl]-N-methylacetamide (PubChem CID 60932315) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pyrazol-1-yl]-N-methylacetamide
PubChem CID60932315
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NC2CCC3CCCCC3C2)cn1
InChIInChI=1S/C16H26N4O/c1-17-16(21)11-20-10-15(9-18-20)19-14-7-6-12-4-2-3-5-13(12)8-14/h9-10,12-14,19H,2-8,11H2,1H3,(H,17,21)
InChIKeyNHXXQFPWAKWUDS-UHFFFAOYSA-N
XLogP2.40
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-aminocyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide
CID 79730983
N-methyl-2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]acetamide
CID 64756991
N-methyl-2-[4-(thian-4-ylamino)pyrazol-1-yl]acetamide
CID 54866384
2-[4-[(2,6-dimethylcyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide
CID 54866416
N-methyl-2-[4-(pyrrolidin-2-ylmethylamino)pyrazol-1-yl]acetamide
CID 106637998
N-(2-hydroxyethyl)-2-[4-[(3-methylcyclopentyl)amino]pyrazol-1-yl]acetamide
CID 110017089
2-[4-[(2-cyclohexyl-2-methoxyethyl)amino]pyrazol-1-yl]-N-methylacetamide
CID 126831054
2-[4-[(2-ethyl-2-methylcyclopentyl)amino]pyrazol-1-yl]-N-methylacetamide
CID 131962116
2-[4-(cycloheptylamino)pyrazol-1-yl]acetamide
CID 43695123
2-[(2-tert-butylcyclohexyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 75370151
2-[4-(cyclopentylmethylamino)pyrazol-1-yl]-N-cyclopropylacetamide
CID 62069655
2-[4-[(4-cyclopropylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 79968644

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pyrazol-1-yl]-N-methylacetamide (CID 60932315) is 2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(NC2CCC3CCCCC3C2)cn1.
What is the InChIKey of 2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pyrazol-1-yl]-N-methylacetamide?
The InChIKey is NHXXQFPWAKWUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-17-16(21)11-20-10-15(9-18-20)19-14-7-6-12-4-2-3-5-13(12)8-14/h9-10,12-14,19H,2-8,11H2,1H3,(H,17,21).
What are the key properties of 2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pyrazol-1-yl]-N-methylacetamide?
2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pyrazol-1-yl]-N-methylacetamide has a molecular weight of 290.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 60932315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).