2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

C17H19N7OS — CID 39695126

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CSc1nnnn1C1CC1)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C17H19N7OS/c25-16(12-26-17-20-21-22-24(17)15-6-7-15)18-10-13-4-1-2-5-14(13)11-23-9-3-8-19-23/h1-5,8-9,15H,6-7,10-12H2,(H,18,25)
InChIKeyDDOIHLUPDPAGRA-UHFFFAOYSA-N
MW369.45 g/mol
LogP1.66
Rot. Bonds8

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 39695126) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID39695126
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CSc1nnnn1C1CC1)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C17H19N7OS/c25-16(12-26-17-20-21-22-24(17)15-6-7-15)18-10-13-4-1-2-5-14(13)11-23-9-3-8-19-23/h1-5,8-9,15H,6-7,10-12H2,(H,18,25)
InChIKeyDDOIHLUPDPAGRA-UHFFFAOYSA-N
XLogP1.66
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244952
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
CID 43059897
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 31821740
2-(cyclopropylmethylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119697944
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 39639994
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(2S)-2-phenylbutyl]acetamide
CID 27096825
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 51245020
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 55526851
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 39642004
2-naphthalen-2-ylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 34581407
N-(2-chloroprop-2-enyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 115636705
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 35493834

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (CID 39695126) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is O=C(CSc1nnnn1C1CC1)NCc1ccccc1Cn1cccn1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is DDOIHLUPDPAGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c25-16(12-26-17-20-21-22-24(17)15-6-7-15)18-10-13-4-1-2-5-14(13)11-23-9-3-8-19-23/h1-5,8-9,15H,6-7,10-12H2,(H,18,25).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 369.45 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 39695126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).