cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide

C18H29N3O — CID 99594686

IUPACcis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)NCCc2c(C)nn(C)c2C)C1(C)C
InChIInChI=1S/C18H29N3O/c1-11(2)10-15-16(18(15,5)6)17(22)19-9-8-14-12(3)20-21(7)13(14)4/h10,15-16H,8-9H2,1-7H3,(H,19,22)/t15-,16+/m1/s1
InChIKeyRZRGSENENFONPT-CVEARBPZSA-N
MW303.45 g/mol
LogP2.93
Rot. Bonds5

About cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide

cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 99594686) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID99594686
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Namecis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)NCCc2c(C)nn(C)c2C)C1(C)C
InChIInChI=1S/C18H29N3O/c1-11(2)10-15-16(18(15,5)6)17(22)19-9-8-14-12(3)20-21(7)13(14)4/h10,15-16H,8-9H2,1-7H3,(H,19,22)/t15-,16+/m1/s1
InChIKeyRZRGSENENFONPT-CVEARBPZSA-N
XLogP2.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.93
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-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 47014967
2,2,2-trifluoro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 110443234
4-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butanamide;hydrochloride
CID 119731648
N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide
CID 86930102
1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 110747749
3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 110460217
2-methyl-3-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 119731668
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)propyl]cyclopropane-1-carboxamide
CID 100616125
1-(3-hydroxybutyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 111337217
2,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 87025021
2-[4-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 86929991
N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119293840

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide (CID 99594686) is cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide is CC(C)=C[C@@H]1[C@@H](C(=O)NCCc2c(C)nn(C)c2C)C1(C)C.
What is the InChIKey of cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is RZRGSENENFONPT-CVEARBPZSA-N. The full InChI is InChI=1S/C18H29N3O/c1-11(2)10-15-16(18(15,5)6)17(22)19-9-8-14-12(3)20-21(7)13(14)4/h10,15-16H,8-9H2,1-7H3,(H,19,22)/t15-,16+/m1/s1.
What are the key properties of cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 99594686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).