N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide

C15H18N4OS — CID 91783003

IUPACN-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)NCC1(Cn2cccn2)CC1
InChIInChI=1S/C15H18N4OS/c20-14(10-21-13-2-7-16-8-3-13)17-11-15(4-5-15)12-19-9-1-6-18-19/h1-3,6-9H,4-5,10-12H2,(H,17,20)
InChIKeyPJFPUAPNVIYBRH-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.97
Rot. Bonds7

About N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide

N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 91783003) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID91783003
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)NCC1(Cn2cccn2)CC1
InChIInChI=1S/C15H18N4OS/c20-14(10-21-13-2-7-16-8-3-13)17-11-15(4-5-15)12-19-9-1-6-18-19/h1-3,6-9H,4-5,10-12H2,(H,17,20)
InChIKeyPJFPUAPNVIYBRH-UHFFFAOYSA-N
XLogP1.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
CID 91779095
3-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole-4-carboxamide
CID 122559752
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-phenylsulfanylacetamide
CID 115456171
2-(furan-2-yl)-2-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
CID 91774286
(2R)-2-cyclopentyl-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
CID 125435454
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 91797143
5-ethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 122563230
6-amino-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 91762623
(2R)-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]spiro[2.4]heptane-2-carboxamide
CID 126433749
1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 30897900
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
CID 118769438
2-methoxy-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyridine-4-carboxamide
CID 122568384

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide (CID 91783003) is N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide is O=C(CSc1ccncc1)NCC1(Cn2cccn2)CC1.
What is the InChIKey of N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is PJFPUAPNVIYBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c20-14(10-21-13-2-7-16-8-3-13)17-11-15(4-5-15)12-19-9-1-6-18-19/h1-3,6-9H,4-5,10-12H2,(H,17,20).
What are the key properties of N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide?
N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 302.40 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 91783003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).