1-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-ethylurea

C15H26ClN5O — CID 56756726

IUPAC1-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-ethylurea
SMILESCCNC(=O)NCC1CCN(Cc2c(CC)nn(C)c2Cl)C1
InChIInChI=1S/C15H26ClN5O/c1-4-13-12(14(16)20(3)19-13)10-21-7-6-11(9-21)8-18-15(22)17-5-2/h11H,4-10H2,1-3H3,(H2,17,18,22)
InChIKeyCPAUDPOXCIHUOJ-UHFFFAOYSA-N
MW327.86 g/mol
LogP1.78
Rot. Bonds6

About 1-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-ethylurea

1-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-ethylurea (PubChem CID 56756726) has the molecular formula C15H26ClN5O and a molecular weight of 327.86 g/mol. Its IUPAC name is 1-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-ethylurea.

Molecular Properties

Compound Name1-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-ethylurea
PubChem CID56756726
Molecular FormulaC15H26ClN5O
Molecular Weight327.86 g/mol
Exact Mass327.18
IUPAC Name1-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-ethylurea
SMILESCCNC(=O)NCC1CCN(Cc2c(CC)nn(C)c2Cl)C1
InChIInChI=1S/C15H26ClN5O/c1-4-13-12(14(16)20(3)19-13)10-21-7-6-11(9-21)8-18-15(22)17-5-2/h11H,4-10H2,1-3H3,(H2,17,18,22)
InChIKeyCPAUDPOXCIHUOJ-UHFFFAOYSA-N
XLogP1.78
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-ethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-ethylurea?
The IUPAC name of 1-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-ethylurea (CID 56756726) is 1-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-ethylurea.
What is the SMILES notation for 1-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-ethylurea?
The canonical SMILES for 1-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-ethylurea is CCNC(=O)NCC1CCN(Cc2c(CC)nn(C)c2Cl)C1.
What is the InChIKey of 1-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-ethylurea?
The InChIKey is CPAUDPOXCIHUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN5O/c1-4-13-12(14(16)20(3)19-13)10-21-7-6-11(9-21)8-18-15(22)17-5-2/h11H,4-10H2,1-3H3,(H2,17,18,22).
What are the key properties of 1-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-ethylurea?
1-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-ethylurea has a molecular weight of 327.86 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-ethylurea is sourced from PubChem (CID 56756726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).