N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline

C13H15N7 — CID 43687182

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
SMILESCc1[nH]ncc1CNc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C13H15N7/c1-9-11(8-15-16-9)7-14-12-5-3-4-10(6-12)13-17-18-19-20(13)2/h3-6,8,14H,7H2,1-2H3,(H,15,16)
InChIKeyYWAQOZMXPFDQAU-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.52
Rot. Bonds4

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline (PubChem CID 43687182) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
PubChem CID43687182
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
SMILESCc1[nH]ncc1CNc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C13H15N7/c1-9-11(8-15-16-9)7-14-12-5-3-4-10(6-12)13-17-18-19-20(13)2/h3-6,8,14H,7H2,1-2H3,(H,15,16)
InChIKeyYWAQOZMXPFDQAU-UHFFFAOYSA-N
XLogP1.52
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 43687122
1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]tetrazol-5-amine
CID 63152369
N-[(1-methylimidazol-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 62357094
3-(1-methyltetrazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 55248719
N-[(4,5-dibromothiophen-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 102832323
N-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline
CID 43687184
N'-tert-butyl-N-[3-(1-methyltetrazol-5-yl)phenyl]ethane-1,2-diamine
CID 107444969
1-methyl-5-(3-methylphenyl)tetrazole
CID 23384026
N-(2-methylpentyl)-3-(1-methyltetrazol-5-yl)aniline
CID 43687104
N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43663437
5-methyl-4-[[3-(sulfamoylamino)anilino]methyl]-1H-pyrazole
CID 43742059
N-(3-methoxy-2-methylpropyl)-3-(1-methyltetrazol-5-yl)aniline
CID 116500940

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline (CID 43687182) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline is Cc1[nH]ncc1CNc1cccc(-c2nnnn2C)c1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline?
The InChIKey is YWAQOZMXPFDQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-9-11(8-15-16-9)7-14-12-5-3-4-10(6-12)13-17-18-19-20(13)2/h3-6,8,14H,7H2,1-2H3,(H,15,16).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline has a molecular weight of 269.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline is sourced from PubChem (CID 43687182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).