N-cyclopropyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide

C11H15N3O — CID 170457707

IUPACN-cyclopropyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide
SMILESC=CCc1cnn(C)c1C(=O)NC1CC1
InChIInChI=1S/C11H15N3O/c1-3-4-8-7-12-14(2)10(8)11(15)13-9-5-6-9/h3,7,9H,1,4-6H2,2H3,(H,13,15)
InChIKeyRUCFTHLZWOGVKG-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.04
Rot. Bonds4

About N-cyclopropyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide

N-cyclopropyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide (PubChem CID 170457707) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide
PubChem CID170457707
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-cyclopropyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide
SMILESC=CCc1cnn(C)c1C(=O)NC1CC1
InChIInChI=1S/C11H15N3O/c1-3-4-8-7-12-14(2)10(8)11(15)13-9-5-6-9/h3,7,9H,1,4-6H2,2H3,(H,13,15)
InChIKeyRUCFTHLZWOGVKG-UHFFFAOYSA-N
XLogP1.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide
CID 170457714
(2-methylpiperidin-1-yl)-(1-methyl-4-prop-2-enylpyrazol-5-yl)methanone
CID 170457723
N-cyclopentyl-4-iodo-1-methylpyrazole-5-carboxamide
CID 903286
N-cyclohexyl-4-iodo-1-methylpyrazole-5-carboxamide
CID 713201
4-amino-N-cyclohexyl-1-methylpyrazole-5-carboxamide
CID 65356046
(1-methyl-4-prop-2-enylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 170457736
4-amino-N-cyclopropyl-1-ethylpyrazole-5-carboxamide
CID 65356982
5-amino-N-(4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide
CID 115330542
1-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-cyclobutylurea
CID 116658180
1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide
CID 4712824
N-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 86911892
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60807901

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide (CID 170457707) is N-cyclopropyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide is C=CCc1cnn(C)c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide?
The InChIKey is RUCFTHLZWOGVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-4-8-7-12-14(2)10(8)11(15)13-9-5-6-9/h3,7,9H,1,4-6H2,2H3,(H,13,15).
What are the key properties of N-cyclopropyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide?
N-cyclopropyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide is sourced from PubChem (CID 170457707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).