N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

C18H20N6OS — CID 131902906

IUPACN-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCn1cnnc1SCC(=O)N(Cc1cnn(-c2ccccc2)c1)C1CC1
InChIInChI=1S/C18H20N6OS/c1-22-13-19-21-18(22)26-12-17(25)23(15-7-8-15)10-14-9-20-24(11-14)16-5-3-2-4-6-16/h2-6,9,11,13,15H,7-8,10,12H2,1H3
InChIKeyJCNJETKSJXKZJB-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.28
Rot. Bonds7

About N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (PubChem CID 131902906) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
PubChem CID131902906
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC NameN-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCn1cnnc1SCC(=O)N(Cc1cnn(-c2ccccc2)c1)C1CC1
InChIInChI=1S/C18H20N6OS/c1-22-13-19-21-18(22)26-12-17(25)23(15-7-8-15)10-14-9-20-24(11-14)16-5-3-2-4-6-16/h2-6,9,11,13,15H,7-8,10,12H2,1H3
InChIKeyJCNJETKSJXKZJB-UHFFFAOYSA-N
XLogP2.28
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide with MolForge

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Related Compounds

N-cyclopropyl-3-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 131928132
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 35367805
2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18128297
(E)-N-cyclopropyl-4-(dimethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]but-2-enamide
CID 146098115
N-benzyl-N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55868329
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
1-benzyl-1-cyclopropyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea
CID 55793583
N-methyl-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 16578997
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 33083677
(E)-N-benzyl-N-cyclopropyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 38271246
2-[ethyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-methylpropanoic acid
CID 62820285
N-benzyl-N-cyclopropyl-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
CID 55845358

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (CID 131902906) is N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is Cn1cnnc1SCC(=O)N(Cc1cnn(-c2ccccc2)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The InChIKey is JCNJETKSJXKZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-22-13-19-21-18(22)26-12-17(25)23(15-7-8-15)10-14-9-20-24(11-14)16-5-3-2-4-6-16/h2-6,9,11,13,15H,7-8,10,12H2,1H3.
What are the key properties of N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 368.47 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 131902906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).