N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(tetrazol-1-yl)aniline

C16H19N7 — CID 167855564

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(tetrazol-1-yl)aniline
SMILESc1ccc(-n2cnnn2)c(NCc2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C16H19N7/c1-2-6-14(5-1)22-10-9-13(19-22)11-17-15-7-3-4-8-16(15)23-12-18-20-21-23/h3-4,7-10,12,14,17H,1-2,5-6,11H2
InChIKeyGTLHMRBDHKQJLB-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.59
Rot. Bonds5

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(tetrazol-1-yl)aniline

N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(tetrazol-1-yl)aniline (PubChem CID 167855564) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(tetrazol-1-yl)aniline
PubChem CID167855564
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(tetrazol-1-yl)aniline
SMILESc1ccc(-n2cnnn2)c(NCc2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C16H19N7/c1-2-6-14(5-1)22-10-9-13(19-22)11-17-15-7-3-4-8-16(15)23-12-18-20-21-23/h3-4,7-10,12,14,17H,1-2,5-6,11H2
InChIKeyGTLHMRBDHKQJLB-UHFFFAOYSA-N
XLogP2.59
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylaniline
CID 64801006
N-(cyclopenten-1-ylmethyl)-2-(tetrazol-1-yl)aniline
CID 146144127
N-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 62755418
N-[2-(tetrazol-1-yl)phenyl]cyclooctanamine
CID 43702152
2-bromo-5-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]aniline
CID 81280452
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 43702314
N-[(1-cyclopentylpyrazol-3-yl)methyl]quinazolin-4-amine
CID 133385979
2,4-dibromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]aniline
CID 64801058
N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline
CID 19626027
N-(1-cyclopentylethyl)-2-(tetrazol-1-yl)aniline
CID 55096519
2-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62759060
N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylquinoxalin-2-amine
CID 133386163

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(tetrazol-1-yl)aniline?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(tetrazol-1-yl)aniline (CID 167855564) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(tetrazol-1-yl)aniline is c1ccc(-n2cnnn2)c(NCc2ccn(C3CCCC3)n2)c1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(tetrazol-1-yl)aniline?
The InChIKey is GTLHMRBDHKQJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-2-6-14(5-1)22-10-9-13(19-22)11-17-15-7-3-4-8-16(15)23-12-18-20-21-23/h3-4,7-10,12,14,17H,1-2,5-6,11H2.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(tetrazol-1-yl)aniline?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(tetrazol-1-yl)aniline has a molecular weight of 309.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(tetrazol-1-yl)aniline is sourced from PubChem (CID 167855564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).