1-[3-(4-methylpyrazol-1-yl)propyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea

C14H24N4OS — CID 97008370

IUPAC1-[3-(4-methylpyrazol-1-yl)propyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea
SMILESCS[C@H]1CC[C@H](NC(=O)NCCCn2cc(C)cn2)C1
InChIInChI=1S/C14H24N4OS/c1-11-9-16-18(10-11)7-3-6-15-14(19)17-12-4-5-13(8-12)20-2/h9-10,12-13H,3-8H2,1-2H3,(H2,15,17,19)/t12-,13-/m0/s1
InChIKeyWVNKRMWOHMRYFT-STQMWFEESA-N
MW296.44 g/mol
LogP2.16
Rot. Bonds6

About 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea

1-[3-(4-methylpyrazol-1-yl)propyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea (PubChem CID 97008370) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea.

Molecular Properties

Compound Name1-[3-(4-methylpyrazol-1-yl)propyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea
PubChem CID97008370
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name1-[3-(4-methylpyrazol-1-yl)propyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea
SMILESCS[C@H]1CC[C@H](NC(=O)NCCCn2cc(C)cn2)C1
InChIInChI=1S/C14H24N4OS/c1-11-9-16-18(10-11)7-3-6-15-14(19)17-12-4-5-13(8-12)20-2/h9-10,12-13H,3-8H2,1-2H3,(H2,15,17,19)/t12-,13-/m0/s1
InChIKeyWVNKRMWOHMRYFT-STQMWFEESA-N
XLogP2.16
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-hydroxypropyl)-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea
CID 95968811
1-(3-methylsulfanylcyclopentyl)-3-[4-(4-methyl-1,3-thiazol-2-yl)butyl]urea
CID 71990317
N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
N-cyclopropyl-3-(4-methylpyrazol-1-yl)propanamide
CID 19559575
(2R,3aR,7aS)-2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 97223688
2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide
CID 19327956
1-(3-hydroxy-4-methylpentyl)-3-(3-methylsulfanylcyclopentyl)urea
CID 111508784
cis-(1R,2S)-N-[3-(4-methylpyrazol-1-yl)propyl]-2-nitrocyclopropane-1-carboxamide
CID 95139335
2,2,3,3,4,4,4-heptafluoro-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide
CID 19328081
N-[3-(4-methylpyrazol-1-yl)propyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 71990284
2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-pyrrolidin-1-ylpropanamide
CID 119060470
1-[2-(2-methylpropoxy)ethyl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea
CID 96518459

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea?
The IUPAC name of 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea (CID 97008370) is 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea.
What is the SMILES notation for 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea?
The canonical SMILES for 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea is CS[C@H]1CC[C@H](NC(=O)NCCCn2cc(C)cn2)C1.
What is the InChIKey of 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea?
The InChIKey is WVNKRMWOHMRYFT-STQMWFEESA-N. The full InChI is InChI=1S/C14H24N4OS/c1-11-9-16-18(10-11)7-3-6-15-14(19)17-12-4-5-13(8-12)20-2/h9-10,12-13H,3-8H2,1-2H3,(H2,15,17,19)/t12-,13-/m0/s1.
What are the key properties of 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea?
1-[3-(4-methylpyrazol-1-yl)propyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea has a molecular weight of 296.44 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea is sourced from PubChem (CID 97008370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).