N-[(1-propylpyrazol-4-yl)methyl]-3-(tetrazol-1-yl)aniline

C14H17N7 — CID 103818160

IUPACN-[(1-propylpyrazol-4-yl)methyl]-3-(tetrazol-1-yl)aniline
SMILESCCCn1cc(CNc2cccc(-n3cnnn3)c2)cn1
InChIInChI=1S/C14H17N7/c1-2-6-20-10-12(9-17-20)8-15-13-4-3-5-14(7-13)21-11-16-18-19-21/h3-5,7,9-11,15H,2,6,8H2,1H3
InChIKeyCLCSDVFRJITAPD-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.88
Rot. Bonds6

About N-[(1-propylpyrazol-4-yl)methyl]-3-(tetrazol-1-yl)aniline

N-[(1-propylpyrazol-4-yl)methyl]-3-(tetrazol-1-yl)aniline (PubChem CID 103818160) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[(1-propylpyrazol-4-yl)methyl]-3-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(1-propylpyrazol-4-yl)methyl]-3-(tetrazol-1-yl)aniline
PubChem CID103818160
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC NameN-[(1-propylpyrazol-4-yl)methyl]-3-(tetrazol-1-yl)aniline
SMILESCCCn1cc(CNc2cccc(-n3cnnn3)c2)cn1
InChIInChI=1S/C14H17N7/c1-2-6-20-10-12(9-17-20)8-15-13-4-3-5-14(7-13)21-11-16-18-19-21/h3-5,7,9-11,15H,2,6,8H2,1H3
InChIKeyCLCSDVFRJITAPD-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

3-imidazol-1-yl-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818766
N-[(1-propylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 103825560
3-chloro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818064
N-[(1-ethylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 103818746
N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 43683929
3-(2-methylpropoxy)-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103720534
3-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)aniline
CID 43683952
1-propyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrazole
CID 103571457
N-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 60694837
3-(tetrazol-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62475298
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
2-fluoro-4-[(1-propylpyrazol-4-yl)methylamino]phenol
CID 103571528

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrazol-4-yl)methyl]-3-(tetrazol-1-yl)aniline?
The IUPAC name of N-[(1-propylpyrazol-4-yl)methyl]-3-(tetrazol-1-yl)aniline (CID 103818160) is N-[(1-propylpyrazol-4-yl)methyl]-3-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[(1-propylpyrazol-4-yl)methyl]-3-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[(1-propylpyrazol-4-yl)methyl]-3-(tetrazol-1-yl)aniline is CCCn1cc(CNc2cccc(-n3cnnn3)c2)cn1.
What is the InChIKey of N-[(1-propylpyrazol-4-yl)methyl]-3-(tetrazol-1-yl)aniline?
The InChIKey is CLCSDVFRJITAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-2-6-20-10-12(9-17-20)8-15-13-4-3-5-14(7-13)21-11-16-18-19-21/h3-5,7,9-11,15H,2,6,8H2,1H3.
What are the key properties of N-[(1-propylpyrazol-4-yl)methyl]-3-(tetrazol-1-yl)aniline?
N-[(1-propylpyrazol-4-yl)methyl]-3-(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]-3-(tetrazol-1-yl)aniline is sourced from PubChem (CID 103818160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).