2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-phenylcycloprop-2-ene-1-carboxamide

C18H21N3O — CID 91834868

IUPAC2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-phenylcycloprop-2-ene-1-carboxamide
SMILESCC1=C(c2ccccc2)C1C(=O)NCCCn1cc(C)cn1
InChIInChI=1S/C18H21N3O/c1-13-11-20-21(12-13)10-6-9-19-18(22)17-14(2)16(17)15-7-4-3-5-8-15/h3-5,7-8,11-12,17H,6,9-10H2,1-2H3,(H,19,22)
InChIKeyVVLZULOJQUXDFZ-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.80
Rot. Bonds6

About 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-phenylcycloprop-2-ene-1-carboxamide

2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-phenylcycloprop-2-ene-1-carboxamide (PubChem CID 91834868) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-phenylcycloprop-2-ene-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-phenylcycloprop-2-ene-1-carboxamide
PubChem CID91834868
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-phenylcycloprop-2-ene-1-carboxamide
SMILESCC1=C(c2ccccc2)C1C(=O)NCCCn1cc(C)cn1
InChIInChI=1S/C18H21N3O/c1-13-11-20-21(12-13)10-6-9-19-18(22)17-14(2)16(17)15-7-4-3-5-8-15/h3-5,7-8,11-12,17H,6,9-10H2,1-2H3,(H,19,22)
InChIKeyVVLZULOJQUXDFZ-UHFFFAOYSA-N
XLogP2.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
4-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-phenylthiophene-2-carboxamide
CID 2225288
(Z)-N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide
CID 19327946
2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111198801
2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide
CID 19327956
N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylmethanesulfonamide
CID 22207231
N-[3-(4-methylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19328190
2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-(3-phenoxypropyl)guanidine
CID 111418875
cis-(1R,2S)-N-[3-(4-methylpyrazol-1-yl)propyl]-2-nitrocyclopropane-1-carboxamide
CID 95139335
2-(4-methylbenzoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 19328159
4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 4862990
1-[5-(benzenesulfonyl)pentyl]-4-methylpyrazole
CID 99120854

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-phenylcycloprop-2-ene-1-carboxamide?
The IUPAC name of 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-phenylcycloprop-2-ene-1-carboxamide (CID 91834868) is 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-phenylcycloprop-2-ene-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-phenylcycloprop-2-ene-1-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-phenylcycloprop-2-ene-1-carboxamide is CC1=C(c2ccccc2)C1C(=O)NCCCn1cc(C)cn1.
What is the InChIKey of 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-phenylcycloprop-2-ene-1-carboxamide?
The InChIKey is VVLZULOJQUXDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-11-20-21(12-13)10-6-9-19-18(22)17-14(2)16(17)15-7-4-3-5-8-15/h3-5,7-8,11-12,17H,6,9-10H2,1-2H3,(H,19,22).
What are the key properties of 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-phenylcycloprop-2-ene-1-carboxamide?
2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-phenylcycloprop-2-ene-1-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-phenylcycloprop-2-ene-1-carboxamide is sourced from PubChem (CID 91834868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).