N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-phenyltetrazol-5-amine

C14H17N7 — CID 131949894

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-phenyltetrazol-5-amine
SMILESCc1nn(C)cc1CN(C)c1nnnn1-c1ccccc1
InChIInChI=1S/C14H17N7/c1-11-12(10-20(3)16-11)9-19(2)14-15-17-18-21(14)13-7-5-4-6-8-13/h4-8,10H,9H2,1-3H3
InChIKeySGSHIRAXHVNNQZ-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.34
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-phenyltetrazol-5-amine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-phenyltetrazol-5-amine (PubChem CID 131949894) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-phenyltetrazol-5-amine
PubChem CID131949894
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-phenyltetrazol-5-amine
SMILESCc1nn(C)cc1CN(C)c1nnnn1-c1ccccc1
InChIInChI=1S/C14H17N7/c1-11-12(10-20(3)16-11)9-19(2)14-15-17-18-21(14)13-7-5-4-6-8-13/h4-8,10H,9H2,1-3H3
InChIKeySGSHIRAXHVNNQZ-UHFFFAOYSA-N
XLogP1.34
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 9195075
N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 9195387
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1-phenylpyrazole-4-sulfonamide
CID 22771454
1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol
CID 62333734
N-methyl-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tetrazol-5-amine
CID 56789625
1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine
CID 63760949
N'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine
CID 55090772
N-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine
CID 63392081
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22771414
3-[ethyl-(1-phenyltetrazol-5-yl)amino]propanethioamide
CID 54992501
2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-phenylacetamide
CID 17378441
2-methyl-3-[methyl-(1-phenyltetrazol-5-yl)amino]propanimidamide
CID 54990530

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-phenyltetrazol-5-amine (CID 131949894) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-phenyltetrazol-5-amine is Cc1nn(C)cc1CN(C)c1nnnn1-c1ccccc1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-phenyltetrazol-5-amine?
The InChIKey is SGSHIRAXHVNNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-11-12(10-20(3)16-11)9-19(2)14-15-17-18-21(14)13-7-5-4-6-8-13/h4-8,10H,9H2,1-3H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-phenyltetrazol-5-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-phenyltetrazol-5-amine has a molecular weight of 283.34 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-phenyltetrazol-5-amine is sourced from PubChem (CID 131949894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).