1-[3-(5-phenyltetrazol-2-yl)propyl]pyrazol-3-amine

C13H15N7 — CID 63310747

IUPAC1-[3-(5-phenyltetrazol-2-yl)propyl]pyrazol-3-amine
SMILESNc1ccn(CCCn2nnc(-c3ccccc3)n2)n1
InChIInChI=1S/C13H15N7/c14-12-7-10-19(16-12)8-4-9-20-17-13(15-18-20)11-5-2-1-3-6-11/h1-3,5-7,10H,4,8-9H2,(H2,14,16)
InChIKeyZKGHIJOGFZHOBB-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.21
Rot. Bonds5

About 1-[3-(5-phenyltetrazol-2-yl)propyl]pyrazol-3-amine

1-[3-(5-phenyltetrazol-2-yl)propyl]pyrazol-3-amine (PubChem CID 63310747) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-[3-(5-phenyltetrazol-2-yl)propyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-(5-phenyltetrazol-2-yl)propyl]pyrazol-3-amine
PubChem CID63310747
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name1-[3-(5-phenyltetrazol-2-yl)propyl]pyrazol-3-amine
SMILESNc1ccn(CCCn2nnc(-c3ccccc3)n2)n1
InChIInChI=1S/C13H15N7/c14-12-7-10-19(16-12)8-4-9-20-17-13(15-18-20)11-5-2-1-3-6-11/h1-3,5-7,10H,4,8-9H2,(H2,14,16)
InChIKeyZKGHIJOGFZHOBB-UHFFFAOYSA-N
XLogP1.21
TPSA87.44 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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(4-phenylpyrazol-1-yl)propyl]pyrazol-3-amine
CID 63311458
4-[5-(4-phenylphenyl)tetrazol-2-yl]butanenitrile
CID 10755867
N-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine
CID 62447153
3-(5-phenyltetrazol-2-yl)propanal
CID 63038867
2-amino-N-[4-(5-phenyltetrazol-2-yl)butyl]acetamide
CID 177376612
1-[3-(2-phenoxyethoxy)propyl]pyrazol-3-amine
CID 63311244
3-(3-aminopyrazol-1-yl)propan-1-ol
CID 50989707
6-(5-phenyltetrazol-2-yl)hexan-3-one
CID 104623292
N-ethyl-N-[5-(5-phenyltetrazol-2-yl)pentyl]cyclopentanamine
CID 56550368
3-[3-(5-phenyltetrazol-2-yl)propyl]-1,3-oxazolidin-2-one
CID 47772331
2-amino-N-[8-(5-phenyltetrazol-2-yl)octyl]acetamide
CID 177376615
2-amino-N-[6-(5-phenyltetrazol-2-yl)hexyl]acetamide
CID 177376609

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-phenyltetrazol-2-yl)propyl]pyrazol-3-amine?
The IUPAC name of 1-[3-(5-phenyltetrazol-2-yl)propyl]pyrazol-3-amine (CID 63310747) is 1-[3-(5-phenyltetrazol-2-yl)propyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-(5-phenyltetrazol-2-yl)propyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-(5-phenyltetrazol-2-yl)propyl]pyrazol-3-amine is Nc1ccn(CCCn2nnc(-c3ccccc3)n2)n1.
What is the InChIKey of 1-[3-(5-phenyltetrazol-2-yl)propyl]pyrazol-3-amine?
The InChIKey is ZKGHIJOGFZHOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c14-12-7-10-19(16-12)8-4-9-20-17-13(15-18-20)11-5-2-1-3-6-11/h1-3,5-7,10H,4,8-9H2,(H2,14,16).
What are the key properties of 1-[3-(5-phenyltetrazol-2-yl)propyl]pyrazol-3-amine?
1-[3-(5-phenyltetrazol-2-yl)propyl]pyrazol-3-amine has a molecular weight of 269.31 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-phenyltetrazol-2-yl)propyl]pyrazol-3-amine is sourced from PubChem (CID 63310747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).