1-[cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

C19H28N4OS — CID 71894685

IUPAC1-[cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(C)c(C)c1CCNC(=O)NC(c1cccs1)C1CCCC1
InChIInChI=1S/C19H28N4OS/c1-13-16(14(2)23(3)22-13)10-11-20-19(24)21-18(15-7-4-5-8-15)17-9-6-12-25-17/h6,9,12,15,18H,4-5,7-8,10-11H2,1-3H3,(H2,20,21,24)
InChIKeyGNELPNYVMTVXPA-UHFFFAOYSA-N
MW360.53 g/mol
LogP3.87
Rot. Bonds6

About 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

1-[cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (PubChem CID 71894685) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
PubChem CID71894685
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC Name1-[cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(C)c(C)c1CCNC(=O)NC(c1cccs1)C1CCCC1
InChIInChI=1S/C19H28N4OS/c1-13-16(14(2)23(3)22-13)10-11-20-19(24)21-18(15-7-4-5-8-15)17-9-6-12-25-17/h6,9,12,15,18H,4-5,7-8,10-11H2,1-3H3,(H2,20,21,24)
InChIKeyGNELPNYVMTVXPA-UHFFFAOYSA-N
XLogP3.87
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea with MolForge

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Related Compounds

1-[(R)-cyclobutyl(phenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95318618
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 94120629
1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 110747749
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
CID 94152755
1-[cyclopentyl(thiophen-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 71941757
1-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 97065175
1-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 97065174
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea
CID 94120635
(2S)-2-thiophen-2-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]morpholine-4-carboxamide
CID 124609983
1-[1-(3-bromophenyl)ethyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 86931519
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 39612382
1-cyclopentyl-3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]urea
CID 110747761

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (CID 71894685) is 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is Cc1nn(C)c(C)c1CCNC(=O)NC(c1cccs1)C1CCCC1.
What is the InChIKey of 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The InChIKey is GNELPNYVMTVXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-13-16(14(2)23(3)22-13)10-11-20-19(24)21-18(15-7-4-5-8-15)17-9-6-12-25-17/h6,9,12,15,18H,4-5,7-8,10-11H2,1-3H3,(H2,20,21,24).
What are the key properties of 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
1-[cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea has a molecular weight of 360.53 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 71894685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).