N-(2-cyclohexylpyrazol-3-yl)-2-cyclopropylacetamide

C14H21N3O — CID 29022543

IUPACN-(2-cyclohexylpyrazol-3-yl)-2-cyclopropylacetamide
SMILESO=C(CC1CC1)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C14H21N3O/c18-14(10-11-6-7-11)16-13-8-9-15-17(13)12-4-2-1-3-5-12/h8-9,11-12H,1-7,10H2,(H,16,18)
InChIKeyAJCMSAKOEMZWQC-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.13
Rot. Bonds4

About N-(2-cyclohexylpyrazol-3-yl)-2-cyclopropylacetamide

N-(2-cyclohexylpyrazol-3-yl)-2-cyclopropylacetamide (PubChem CID 29022543) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2-cyclohexylpyrazol-3-yl)-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-(2-cyclohexylpyrazol-3-yl)-2-cyclopropylacetamide
PubChem CID29022543
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(2-cyclohexylpyrazol-3-yl)-2-cyclopropylacetamide
SMILESO=C(CC1CC1)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C14H21N3O/c18-14(10-11-6-7-11)16-13-8-9-15-17(13)12-4-2-1-3-5-12/h8-9,11-12H,1-7,10H2,(H,16,18)
InChIKeyAJCMSAKOEMZWQC-UHFFFAOYSA-N
XLogP3.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-2-cyclopropylacetamide?
The IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-2-cyclopropylacetamide (CID 29022543) is N-(2-cyclohexylpyrazol-3-yl)-2-cyclopropylacetamide.
What is the SMILES notation for N-(2-cyclohexylpyrazol-3-yl)-2-cyclopropylacetamide?
The canonical SMILES for N-(2-cyclohexylpyrazol-3-yl)-2-cyclopropylacetamide is O=C(CC1CC1)Nc1ccnn1C1CCCCC1.
What is the InChIKey of N-(2-cyclohexylpyrazol-3-yl)-2-cyclopropylacetamide?
The InChIKey is AJCMSAKOEMZWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-14(10-11-6-7-11)16-13-8-9-15-17(13)12-4-2-1-3-5-12/h8-9,11-12H,1-7,10H2,(H,16,18).
What are the key properties of N-(2-cyclohexylpyrazol-3-yl)-2-cyclopropylacetamide?
N-(2-cyclohexylpyrazol-3-yl)-2-cyclopropylacetamide has a molecular weight of 247.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylpyrazol-3-yl)-2-cyclopropylacetamide is sourced from PubChem (CID 29022543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).