cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide

C16H23N3O — CID 95265346

IUPACcis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide
SMILESC=CCN(C(=O)[C@H]1C[C@H]1c1cnn(C)c1)C1CCCC1
InChIInChI=1S/C16H23N3O/c1-3-8-19(13-6-4-5-7-13)16(20)15-9-14(15)12-10-17-18(2)11-12/h3,10-11,13-15H,1,4-9H2,2H3/t14-,15-/m0/s1
InChIKeyBHZZPNLMYTYRNK-GJZGRUSLSA-N
MW273.38 g/mol
LogP2.48
Rot. Bonds5

About cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide

cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide (PubChem CID 95265346) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide
PubChem CID95265346
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Namecis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide
SMILESC=CCN(C(=O)[C@H]1C[C@H]1c1cnn(C)c1)C1CCCC1
InChIInChI=1S/C16H23N3O/c1-3-8-19(13-6-4-5-7-13)16(20)15-9-14(15)12-10-17-18(2)11-12/h3,10-11,13-15H,1,4-9H2,2H3/t14-,15-/m0/s1
InChIKeyBHZZPNLMYTYRNK-GJZGRUSLSA-N
XLogP2.48
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-(1-Methylpyrazol-4-yl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 25196905
rac-(4R,5S)-4-(aminomethyl)-1-tert-butyl-5-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 122164143
N-(cyclopropylmethyl)-N-methyl-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 53613462
N-(cyclopropylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-propylacetamide
CID 56825328
1-cyclopentyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72873054
1-isopropyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72915942
1-cyclopentyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-6-oxo-3-piperidinecarboxamide
CID 72923965
2-cyclopropyl-1-[(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]ethanone
CID 97470992
8-(Cyclopent-3-ene-1-carbonyl)-1-ethyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 118739097
8-(Cyclopent-3-ene-1-carbonyl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 118741191
8-(Cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 118744096
trans-2-(1-Methyl-1h-pyrazol-4-yl)cyclopropanecarboxamide
CID 129321896

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide (CID 95265346) is cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide is C=CCN(C(=O)[C@H]1C[C@H]1c1cnn(C)c1)C1CCCC1.
What is the InChIKey of cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide?
The InChIKey is BHZZPNLMYTYRNK-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-8-19(13-6-4-5-7-13)16(20)15-9-14(15)12-10-17-18(2)11-12/h3,10-11,13-15H,1,4-9H2,2H3/t14-,15-/m0/s1.
What are the key properties of cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide is sourced from PubChem (CID 95265346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).