1-[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]-N-methylmethanamine

C14H17N7 — CID 43282042

IUPAC1-[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1-n1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H17N7/c1-10-12(9-15-2)14(20(3)17-10)21-18-13(16-19-21)11-7-5-4-6-8-11/h4-8,15H,9H2,1-3H3
InChIKeyBKUGRGSQRKWRCP-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.09
Rot. Bonds4

About 1-[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]-N-methylmethanamine

1-[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]-N-methylmethanamine (PubChem CID 43282042) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]-N-methylmethanamine
PubChem CID43282042
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name1-[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1-n1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H17N7/c1-10-12(9-15-2)14(20(3)17-10)21-18-13(16-19-21)11-7-5-4-6-8-11/h4-8,15H,9H2,1-3H3
InChIKeyBKUGRGSQRKWRCP-UHFFFAOYSA-N
XLogP1.09
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]-N-methylmethanamine (CID 43282042) is 1-[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]-N-methylmethanamine is CNCc1c(C)nn(C)c1-n1nnc(-c2ccccc2)n1.
What is the InChIKey of 1-[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is BKUGRGSQRKWRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-10-12(9-15-2)14(20(3)17-10)21-18-13(16-19-21)11-7-5-4-6-8-11/h4-8,15H,9H2,1-3H3.
What are the key properties of 1-[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]-N-methylmethanamine?
1-[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 283.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 43282042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).