N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C18H29N3O — CID 47014967

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NCCCn2nc(C)cc2C)C1(C)C
InChIInChI=1S/C18H29N3O/c1-12(2)10-15-16(18(15,5)6)17(22)19-8-7-9-21-14(4)11-13(3)20-21/h10-11,15-16H,7-9H2,1-6H3,(H,19,22)
InChIKeyANHHANPOLFHIAI-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.24
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 47014967) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID47014967
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NCCCn2nc(C)cc2C)C1(C)C
InChIInChI=1S/C18H29N3O/c1-12(2)10-15-16(18(15,5)6)17(22)19-8-7-9-21-14(4)11-13(3)20-21/h10-11,15-16H,7-9H2,1-6H3,(H,19,22)
InChIKeyANHHANPOLFHIAI-UHFFFAOYSA-N
XLogP3.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124574731
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
cis-(1R,3R)-N-(3-methoxypropyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 94180392
1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylguanidine
CID 110914283
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
(1S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohex-3-ene-1-carboxamide
CID 94182966
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 115737976
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 115737973
2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]acetic acid
CID 113363032
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-2-carboxamide
CID 114536594
6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide
CID 115597233

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 47014967) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)NCCCn2nc(C)cc2C)C1(C)C.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is ANHHANPOLFHIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-12(2)10-15-16(18(15,5)6)17(22)19-8-7-9-21-14(4)11-13(3)20-21/h10-11,15-16H,7-9H2,1-6H3,(H,19,22).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 47014967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).