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

C20H25N5O — CID 42934236

IUPACN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)C1(C)C
InChIInChI=1S/C20H25N5O/c1-12(2)10-16-17(20(16,3)4)19(26)21-14-7-5-6-13(11-14)18-22-23-24-25(18)15-8-9-15/h5-7,10-11,15-17H,8-9H2,1-4H3,(H,21,26)
InChIKeyOHZQFKZWNQQQDQ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.85
Rot. Bonds5

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

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 42934236) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID42934236
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)C1(C)C
InChIInChI=1S/C20H25N5O/c1-12(2)10-16-17(20(16,3)4)19(26)21-14-7-5-6-13(11-14)18-22-23-24-25(18)15-8-9-15/h5-7,10-11,15-17H,8-9H2,1-4H3,(H,21,26)
InChIKeyOHZQFKZWNQQQDQ-UHFFFAOYSA-N
XLogP3.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 18150617
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropane-1-carboxamide
CID 47023379
3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 119699629
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856
cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide
CID 39026508
3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide
CID 119699623
(2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 119276607
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699668
(2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 119699673
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide
CID 63309384

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 42934236) is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)C1(C)C.
What is the InChIKey of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is OHZQFKZWNQQQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-12(2)10-16-17(20(16,3)4)19(26)21-14-7-5-6-13(11-14)18-22-23-24-25(18)15-8-9-15/h5-7,10-11,15-17H,8-9H2,1-4H3,(H,21,26).
What are the key properties of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 42934236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).