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

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Related Compounds

1-[2-(4-phenylpiperidin-1-yl)ethyl]-3-pyridin-3-ylurea
CID 74231138
4-methyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 91829247
1-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]urea
CID 110173334
1-(2-methylquinolin-4-yl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 10150609
4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
CID 74239784
1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 68689261
(2R)-N-[2-(4-phenylpiperidin-1-yl)ethyl]oxane-2-carboxamide
CID 125157377
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea
CID 72935999
1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-3-(2-propylpyrazol-3-yl)urea
CID 99839457
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]urea
CID 125155199
1-(2-morpholin-4-ylethyl)-3-[2-(1-phenylethyl)pyrazol-3-yl]urea
CID 72924199
1-(2-benzylpyrazol-3-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 72888153

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).