1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)tetrazol-5-amine

C13H15N7 — CID 61462761

IUPAC1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)tetrazol-5-amine
SMILESCC(Cn1cccn1)Nc1nnnn1-c1ccccc1
InChIInChI=1S/C13H15N7/c1-11(10-19-9-5-8-14-19)15-13-16-17-18-20(13)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,15,16,18)
InChIKeyMCBPUFOXOUAFGQ-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.36
Rot. Bonds5

About 1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)tetrazol-5-amine

1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)tetrazol-5-amine (PubChem CID 61462761) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)tetrazol-5-amine.

Molecular Properties

Compound Name1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)tetrazol-5-amine
PubChem CID61462761
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)tetrazol-5-amine
SMILESCC(Cn1cccn1)Nc1nnnn1-c1ccccc1
InChIInChI=1S/C13H15N7/c1-11(10-19-9-5-8-14-19)15-13-16-17-18-20(13)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,15,16,18)
InChIKeyMCBPUFOXOUAFGQ-UHFFFAOYSA-N
XLogP1.36
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
CID 97325529
1-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]tetrazol-5-amine
CID 133307272
2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
CID 43388771
N-[1-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
CID 60703954
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine
CID 9195049
N-[1-(3-bromophenyl)ethyl]-1-phenyltetrazol-5-amine
CID 60746209
1-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]tetrazol-5-amine
CID 106282877
1-imidazol-1-yl-N-[(1-phenyltetrazol-5-yl)methyl]propan-2-amine
CID 62625643
(1R)-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propan-1-amine
CID 93276656
N-(1-pyrazol-1-ylpropan-2-yl)quinolin-2-amine
CID 61462720
(2S)-N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine
CID 95279669
N-(6-ethyl-2-methylpyrimidin-4-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
CID 133472424

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)tetrazol-5-amine?
The IUPAC name of 1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)tetrazol-5-amine (CID 61462761) is 1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)tetrazol-5-amine.
What is the SMILES notation for 1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)tetrazol-5-amine?
The canonical SMILES for 1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)tetrazol-5-amine is CC(Cn1cccn1)Nc1nnnn1-c1ccccc1.
What is the InChIKey of 1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)tetrazol-5-amine?
The InChIKey is MCBPUFOXOUAFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-11(10-19-9-5-8-14-19)15-13-16-17-18-20(13)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,15,16,18).
What are the key properties of 1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)tetrazol-5-amine?
1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)tetrazol-5-amine has a molecular weight of 269.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)tetrazol-5-amine is sourced from PubChem (CID 61462761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).