(2R)-2-amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide

C13H22N4O — CID 90653977

IUPAC(2R)-2-amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESN[C@@H](C(=O)NCCc1cn[nH]c1)C1CCCCC1
InChIInChI=1S/C13H22N4O/c14-12(11-4-2-1-3-5-11)13(18)15-7-6-10-8-16-17-9-10/h8-9,11-12H,1-7,14H2,(H,15,18)(H,16,17)/t12-/m1/s1
InChIKeyDMNSILJSLAIHLP-GFCCVEGCSA-N
MW250.35 g/mol
LogP0.98
Rot. Bonds5

About (2R)-2-amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide

(2R)-2-amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide (PubChem CID 90653977) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (2R)-2-amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name(2R)-2-amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
PubChem CID90653977
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(2R)-2-amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESN[C@@H](C(=O)NCCc1cn[nH]c1)C1CCCCC1
InChIInChI=1S/C13H22N4O/c14-12(11-4-2-1-3-5-11)13(18)15-7-6-10-8-16-17-9-10/h8-9,11-12H,1-7,14H2,(H,15,18)(H,16,17)/t12-/m1/s1
InChIKeyDMNSILJSLAIHLP-GFCCVEGCSA-N
XLogP0.98
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(N-6-aminocaproyl)aminopropyl]-pyrazole
CID 22754935
N-[(1S*,2R*)-2-(cycloheptylamino)cyclobutyl]-4-(1H-pyrazol-4-yl)butanamide
CID 56908193
(3R*,4S*)-4-cyclopropyl-1-[4-(1H-pyrazol-4-yl)butanoyl]pyrrolidin-3-amine
CID 72849771
1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 72851912
N-(cis-4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide
CID 74245889
4-(1H-Pyrazol-4-YL)-N-{2-[(2S)-pyrrolidin-2-YL]ethyl}butanamide
CID 74247815
1-(cyclohexylcarbonyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-L-prolinamide
CID 86286284
N-[(2R)-3-cyclobutyl-1-oxo-1-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]propan-2-yl]acetamide
CID 136586537
N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103856220
N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103856617
4,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide
CID 103860811
N-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106834427

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide?
The IUPAC name of (2R)-2-amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide (CID 90653977) is (2R)-2-amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for (2R)-2-amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for (2R)-2-amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide is N[C@@H](C(=O)NCCc1cn[nH]c1)C1CCCCC1.
What is the InChIKey of (2R)-2-amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide?
The InChIKey is DMNSILJSLAIHLP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H22N4O/c14-12(11-4-2-1-3-5-11)13(18)15-7-6-10-8-16-17-9-10/h8-9,11-12H,1-7,14H2,(H,15,18)(H,16,17)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide?
(2R)-2-amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide has a molecular weight of 250.35 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 90653977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).