trans-(1R,2R)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide

C15H16FN5O — CID 95777482

IUPACtrans-(1R,2R)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1
InChIInChI=1S/C15H16FN5O/c1-8-6-11(8)15(22)17-10-4-5-12(16)13(7-10)21-14(9-2-3-9)18-19-20-21/h4-5,7-9,11H,2-3,6H2,1H3,(H,17,22)/t8-,11-/m1/s1
InChIKeyNFEWZKMQFJZZBQ-LDYMZIIASA-N
MW301.32 g/mol
LogP2.27
Rot. Bonds4

About trans-(1R,2R)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 95777482) has the molecular formula C15H16FN5O and a molecular weight of 301.32 g/mol. Its IUPAC name is trans-(1R,2R)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID95777482
Molecular FormulaC15H16FN5O
Molecular Weight301.32 g/mol
Exact Mass301.13
IUPAC Nametrans-(1R,2R)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1
InChIInChI=1S/C15H16FN5O/c1-8-6-11(8)15(22)17-10-4-5-12(16)13(7-10)21-14(9-2-3-9)18-19-20-21/h4-5,7-9,11H,2-3,6H2,1H3,(H,17,22)/t8-,11-/m1/s1
InChIKeyNFEWZKMQFJZZBQ-LDYMZIIASA-N
XLogP2.27
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(5-cyclopropyltetrazol-1-yl)-4-fluorophenyl]carbamoylamino]butanoic acid
CID 122085713
3-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119812407
(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]propanamide
CID 119330131
N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 119313677
N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119795291
(2R,3S)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120930079
(E)-3-[2-fluoro-5-[(2-methylcyclopropanecarbonyl)amino]phenyl]prop-2-enoic acid
CID 104781413
N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-3-methylfuran-2-carboxamide
CID 71858611
1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95320049
(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-4-methylpentanamide
CID 119795296
N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)propanamide
CID 167910778
7-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]heptanamide
CID 119795252

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide (CID 95777482) is trans-(1R,2R)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide is C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1.
What is the InChIKey of trans-(1R,2R)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is NFEWZKMQFJZZBQ-LDYMZIIASA-N. The full InChI is InChI=1S/C15H16FN5O/c1-8-6-11(8)15(22)17-10-4-5-12(16)13(7-10)21-14(9-2-3-9)18-19-20-21/h4-5,7-9,11H,2-3,6H2,1H3,(H,17,22)/t8-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 301.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 95777482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).