1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea

C21H29N5O — CID 118792578

IUPAC1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
SMILESO=C(NCCN1CCC(c2ccccc2)CC1)Nc1ccnn1CC1CC1
InChIInChI=1S/C21H29N5O/c27-21(24-20-8-11-23-26(20)16-17-6-7-17)22-12-15-25-13-9-19(10-14-25)18-4-2-1-3-5-18/h1-5,8,11,17,19H,6-7,9-10,12-16H2,(H2,22,24,27)
InChIKeyIYBXPCCCLCAQTB-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.29
Rot. Bonds7

About 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea

1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea (PubChem CID 118792578) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
PubChem CID118792578
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
SMILESO=C(NCCN1CCC(c2ccccc2)CC1)Nc1ccnn1CC1CC1
InChIInChI=1S/C21H29N5O/c27-21(24-20-8-11-23-26(20)16-17-6-7-17)22-12-15-25-13-9-19(10-14-25)18-4-2-1-3-5-18/h1-5,8,11,17,19H,6-7,9-10,12-16H2,(H2,22,24,27)
InChIKeyIYBXPCCCLCAQTB-UHFFFAOYSA-N
XLogP3.29
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea 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-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea (CID 118792578) is 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea is O=C(NCCN1CCC(c2ccccc2)CC1)Nc1ccnn1CC1CC1.
What is the InChIKey of 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea?
The InChIKey is IYBXPCCCLCAQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c27-21(24-20-8-11-23-26(20)16-17-6-7-17)22-12-15-25-13-9-19(10-14-25)18-4-2-1-3-5-18/h1-5,8,11,17,19H,6-7,9-10,12-16H2,(H2,22,24,27).
What are the key properties of 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea?
1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea has a molecular weight of 367.50 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 118792578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).