N-[(1-tert-butylpyrazol-4-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline

C16H21N7 — CID 78887873

IUPACN-[(1-tert-butylpyrazol-4-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
SMILESCc1nnnn1-c1cccc(NCc2cnn(C(C)(C)C)c2)c1
InChIInChI=1S/C16H21N7/c1-12-19-20-21-23(12)15-7-5-6-14(8-15)17-9-13-10-18-22(11-13)16(2,3)4/h5-8,10-11,17H,9H2,1-4H3
InChIKeyZXNGXFGRMVTHIM-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.53
Rot. Bonds4

About N-[(1-tert-butylpyrazol-4-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline

N-[(1-tert-butylpyrazol-4-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline (PubChem CID 78887873) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[(1-tert-butylpyrazol-4-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(1-tert-butylpyrazol-4-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
PubChem CID78887873
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC NameN-[(1-tert-butylpyrazol-4-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
SMILESCc1nnnn1-c1cccc(NCc2cnn(C(C)(C)C)c2)c1
InChIInChI=1S/C16H21N7/c1-12-19-20-21-23(12)15-7-5-6-14(8-15)17-9-13-10-18-22(11-13)16(2,3)4/h5-8,10-11,17H,9H2,1-4H3
InChIKeyZXNGXFGRMVTHIM-UHFFFAOYSA-N
XLogP2.53
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline
CID 62758600
N-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 66398115
3-(5-methyltetrazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 78882875
3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline
CID 63951883
N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 115762802
N-[(3-methylfuran-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 115744001
N-[(4-bromothiophen-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 43734028
N-[(1-methylimidazol-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 62350456
N-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline
CID 43733948
methyl 3-[(1-tert-butylpyrazol-4-yl)methylamino]benzoate
CID 43774429
N-[(2,3-dimethoxyphenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 78882897
[3-(5-methyltetrazol-1-yl)phenyl]methanamine
CID 82504564

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline?
The IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline (CID 78887873) is N-[(1-tert-butylpyrazol-4-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline.
What is the SMILES notation for N-[(1-tert-butylpyrazol-4-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline?
The canonical SMILES for N-[(1-tert-butylpyrazol-4-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline is Cc1nnnn1-c1cccc(NCc2cnn(C(C)(C)C)c2)c1.
What is the InChIKey of N-[(1-tert-butylpyrazol-4-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline?
The InChIKey is ZXNGXFGRMVTHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7/c1-12-19-20-21-23(12)15-7-5-6-14(8-15)17-9-13-10-18-22(11-13)16(2,3)4/h5-8,10-11,17H,9H2,1-4H3.
What are the key properties of N-[(1-tert-butylpyrazol-4-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline?
N-[(1-tert-butylpyrazol-4-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline has a molecular weight of 311.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylpyrazol-4-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline is sourced from PubChem (CID 78887873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).