methyl 4-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylate

C14H21N3O3 — CID 115617096

IUPACmethyl 4-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)C(C)n2cccn2)CC1
InChIInChI=1S/C14H21N3O3/c1-10(17-9-3-8-15-17)13(18)16-12-6-4-11(5-7-12)14(19)20-2/h3,8-12H,4-7H2,1-2H3,(H,16,18)
InChIKeyFDLZXGUKDZBJOM-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.29
Rot. Bonds4

About methyl 4-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylate

methyl 4-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylate (PubChem CID 115617096) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 4-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylate
PubChem CID115617096
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Namemethyl 4-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)C(C)n2cccn2)CC1
InChIInChI=1S/C14H21N3O3/c1-10(17-9-3-8-15-17)13(18)16-12-6-4-11(5-7-12)14(19)20-2/h3,8-12H,4-7H2,1-2H3,(H,16,18)
InChIKeyFDLZXGUKDZBJOM-UHFFFAOYSA-N
XLogP1.29
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 93329821
N-cycloheptyl-2-pyrazol-1-ylpropanamide
CID 47156273
3-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]cyclobutane-1-carboxylic acid
CID 126439290
N-piperidin-3-yl-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 119424500
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyrazol-1-ylpropanamide
CID 43593952
(2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 95134540
methyl 4-(2-phenylpropanoylamino)cyclohexane-1-carboxylate
CID 104917471
N-[2-(cycloheptylamino)ethyl]-2-pyrazol-1-ylpropanamide
CID 81424644
4-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 119230000
methyl 4-cyclopropyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylate
CID 71974042
methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate
CID 115617179
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylate (CID 115617096) is methyl 4-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylate is COC(=O)C1CCC(NC(=O)C(C)n2cccn2)CC1.
What is the InChIKey of methyl 4-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylate?
The InChIKey is FDLZXGUKDZBJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(17-9-3-8-15-17)13(18)16-12-6-4-11(5-7-12)14(19)20-2/h3,8-12H,4-7H2,1-2H3,(H,16,18).
What are the key properties of methyl 4-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylate?
methyl 4-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 115617096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).