1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea

C24H29N5O2 — CID 55835952

IUPAC1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
SMILESO=C(NCC(c1ccccc1)N1CCCC1)Nc1cccc(OCCn2cccn2)c1
InChIInChI=1S/C24H29N5O2/c30-24(25-19-23(28-13-4-5-14-28)20-8-2-1-3-9-20)27-21-10-6-11-22(18-21)31-17-16-29-15-7-12-26-29/h1-3,6-12,15,18,23H,4-5,13-14,16-17,19H2,(H2,25,27,30)
InChIKeyLATXZZHAIMRCDX-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.92
Rot. Bonds9

About 1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea

1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea (PubChem CID 55835952) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
PubChem CID55835952
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
SMILESO=C(NCC(c1ccccc1)N1CCCC1)Nc1cccc(OCCn2cccn2)c1
InChIInChI=1S/C24H29N5O2/c30-24(25-19-23(28-13-4-5-14-28)20-8-2-1-3-9-20)27-21-10-6-11-22(18-21)31-17-16-29-15-7-12-26-29/h1-3,6-12,15,18,23H,4-5,13-14,16-17,19H2,(H2,25,27,30)
InChIKeyLATXZZHAIMRCDX-UHFFFAOYSA-N
XLogP3.92
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea
CID 18101910
1-[2-(azepan-1-yl)-2-phenylethyl]-3-pyridin-3-ylurea
CID 118775624
N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide
CID 87039258
1-[3-(2-pyrazol-1-ylethoxy)phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55836595
4-phenyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55767479
1-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 56556695
1-[(2,4-dimethylphenyl)methyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 55836723
1-[3-(methylsulfonylmethyl)phenyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 60603381
2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
CID 55880460
N-(2,2-dimethyl-3-phenylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide
CID 86967474
2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide
CID 55833259
1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 95157995

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea?
The IUPAC name of 1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea (CID 55835952) is 1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea.
What is the SMILES notation for 1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea?
The canonical SMILES for 1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea is O=C(NCC(c1ccccc1)N1CCCC1)Nc1cccc(OCCn2cccn2)c1.
What is the InChIKey of 1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea?
The InChIKey is LATXZZHAIMRCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c30-24(25-19-23(28-13-4-5-14-28)20-8-2-1-3-9-20)27-21-10-6-11-22(18-21)31-17-16-29-15-7-12-26-29/h1-3,6-12,15,18,23H,4-5,13-14,16-17,19H2,(H2,25,27,30).
What are the key properties of 1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea?
1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea has a molecular weight of 419.53 g/mol, XLogP of 3.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea is sourced from PubChem (CID 55835952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).