N-[[3-[3-(tetrazol-1-yl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine

C14H15N7 — CID 62113328

IUPACN-[[3-[3-(tetrazol-1-yl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine
SMILESc1cc(-c2cc(CNC3CC3)[nH]n2)cc(-n2cnnn2)c1
InChIInChI=1S/C14H15N7/c1-2-10(6-13(3-1)21-9-16-19-20-21)14-7-12(17-18-14)8-15-11-4-5-11/h1-3,6-7,9,11,15H,4-5,8H2,(H,17,18)
InChIKeyQJPCNSSSPNATGL-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.30
Rot. Bonds5

About N-[[3-[3-(tetrazol-1-yl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine

N-[[3-[3-(tetrazol-1-yl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine (PubChem CID 62113328) has the molecular formula C14H15N7 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[[3-[3-(tetrazol-1-yl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[3-(tetrazol-1-yl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine
PubChem CID62113328
Molecular FormulaC14H15N7
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC NameN-[[3-[3-(tetrazol-1-yl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine
SMILESc1cc(-c2cc(CNC3CC3)[nH]n2)cc(-n2cnnn2)c1
InChIInChI=1S/C14H15N7/c1-2-10(6-13(3-1)21-9-16-19-20-21)14-7-12(17-18-14)8-15-11-4-5-11/h1-3,6-7,9,11,15H,4-5,8H2,(H,17,18)
InChIKeyQJPCNSSSPNATGL-UHFFFAOYSA-N
XLogP1.30
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropanamine
CID 62111862
N-[[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methyl]cyclopropanamine
CID 62112694
N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine
CID 62112186
N-propyl-6-[3-(tetrazol-1-yl)phenyl]pyridazin-3-amine
CID 62203211
5-[(cyclopropylamino)methyl]-3-phenyl-1H-pyridazin-6-one
CID 82445384
2-(chloromethyl)-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole
CID 62922172
N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 26215976
N-[3-(tetrazol-1-yl)phenyl]oxan-4-amine
CID 43683923
N-tert-butyl-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 62942366
N-methyl-1-[5-[3-(tetrazol-1-yl)phenyl]-1,2-oxazol-4-yl]methanamine
CID 65239815
N-(cyclohex-3-en-1-ylmethyl)-3-(tetrazol-1-yl)aniline
CID 43683913
1-(3-propylphenyl)tetrazole
CID 130450814

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-(tetrazol-1-yl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[3-(tetrazol-1-yl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine (CID 62113328) is N-[[3-[3-(tetrazol-1-yl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[3-(tetrazol-1-yl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[3-(tetrazol-1-yl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine is c1cc(-c2cc(CNC3CC3)[nH]n2)cc(-n2cnnn2)c1.
What is the InChIKey of N-[[3-[3-(tetrazol-1-yl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is QJPCNSSSPNATGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7/c1-2-10(6-13(3-1)21-9-16-19-20-21)14-7-12(17-18-14)8-15-11-4-5-11/h1-3,6-7,9,11,15H,4-5,8H2,(H,17,18).
What are the key properties of N-[[3-[3-(tetrazol-1-yl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine?
N-[[3-[3-(tetrazol-1-yl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 281.32 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-(tetrazol-1-yl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62113328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).