N-[(1-propylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline

C14H17N7 — CID 103825560

IUPACN-[(1-propylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
SMILESCCCn1cc(CNc2ccccc2-n2cnnn2)cn1
InChIInChI=1S/C14H17N7/c1-2-7-20-10-12(9-17-20)8-15-13-5-3-4-6-14(13)21-11-16-18-19-21/h3-6,9-11,15H,2,7-8H2,1H3
InChIKeyCTKUXQSLDWHONN-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.88
Rot. Bonds6

About N-[(1-propylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline

N-[(1-propylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline (PubChem CID 103825560) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[(1-propylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(1-propylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
PubChem CID103825560
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC NameN-[(1-propylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
SMILESCCCn1cc(CNc2ccccc2-n2cnnn2)cn1
InChIInChI=1S/C14H17N7/c1-2-7-20-10-12(9-17-20)8-15-13-5-3-4-6-14(13)21-11-16-18-19-21/h3-6,9-11,15H,2,7-8H2,1H3
InChIKeyCTKUXQSLDWHONN-UHFFFAOYSA-N
XLogP1.88
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-propylpyrazol-4-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 103818160
2-ethylsulfonyl-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571450
N-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 62755418
N-methyl-2-[2-[(1-propylpyrazol-4-yl)methylamino]phenyl]acetamide
CID 103818567
2-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62759060
2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571325
N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 103825717
3-[[2-(tetrazol-1-yl)anilino]methyl]benzonitrile
CID 43702183
N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline
CID 43702180
1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966319
N-[(1-propylpyrazol-4-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 91789362
2-fluoro-6-[(1-propylpyrazol-4-yl)methylamino]benzonitrile
CID 103571361

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline?
The IUPAC name of N-[(1-propylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline (CID 103825560) is N-[(1-propylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[(1-propylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[(1-propylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline is CCCn1cc(CNc2ccccc2-n2cnnn2)cn1.
What is the InChIKey of N-[(1-propylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline?
The InChIKey is CTKUXQSLDWHONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-2-7-20-10-12(9-17-20)8-15-13-5-3-4-6-14(13)21-11-16-18-19-21/h3-6,9-11,15H,2,7-8H2,1H3.
What are the key properties of N-[(1-propylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline?
N-[(1-propylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline has a molecular weight of 283.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline is sourced from PubChem (CID 103825560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).