1-(1-propylpiperidin-4-yl)-3-[(2-pyrazol-1-ylphenyl)methyl]urea

C19H27N5O — CID 154748194

IUPAC1-(1-propylpiperidin-4-yl)-3-[(2-pyrazol-1-ylphenyl)methyl]urea
SMILESCCCN1CCC(NC(=O)NCc2ccccc2-n2cccn2)CC1
InChIInChI=1S/C19H27N5O/c1-2-11-23-13-8-17(9-14-23)22-19(25)20-15-16-6-3-4-7-18(16)24-12-5-10-21-24/h3-7,10,12,17H,2,8-9,11,13-15H2,1H3,(H2,20,22,25)
InChIKeyHVRUHPWZEWCBGD-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.55
Rot. Bonds6

About 1-(1-propylpiperidin-4-yl)-3-[(2-pyrazol-1-ylphenyl)methyl]urea

1-(1-propylpiperidin-4-yl)-3-[(2-pyrazol-1-ylphenyl)methyl]urea (PubChem CID 154748194) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-(1-propylpiperidin-4-yl)-3-[(2-pyrazol-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(1-propylpiperidin-4-yl)-3-[(2-pyrazol-1-ylphenyl)methyl]urea
PubChem CID154748194
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-(1-propylpiperidin-4-yl)-3-[(2-pyrazol-1-ylphenyl)methyl]urea
SMILESCCCN1CCC(NC(=O)NCc2ccccc2-n2cccn2)CC1
InChIInChI=1S/C19H27N5O/c1-2-11-23-13-8-17(9-14-23)22-19(25)20-15-16-6-3-4-7-18(16)24-12-5-10-21-24/h3-7,10,12,17H,2,8-9,11,13-15H2,1H3,(H2,20,22,25)
InChIKeyHVRUHPWZEWCBGD-UHFFFAOYSA-N
XLogP2.55
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(2-pyrazol-1-ylphenyl)methyl]urea
CID 71929902
2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide
CID 61165757
2-phenyl-N-(1-propylpiperidin-4-yl)-2-pyrazol-1-ylacetamide
CID 51108379
2-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 62854534
1-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
CID 138992785
(4S)-2-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]imidazolidine-4-carboxamide
CID 97080000
2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 116677047
1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]azepan-4-amine
CID 65070198
1-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 56820950
(2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119739823
1-cyclopropyl-3-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]urea
CID 165120008
tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate
CID 63789237

Frequently Asked Questions

What is the IUPAC name of 1-(1-propylpiperidin-4-yl)-3-[(2-pyrazol-1-ylphenyl)methyl]urea?
The IUPAC name of 1-(1-propylpiperidin-4-yl)-3-[(2-pyrazol-1-ylphenyl)methyl]urea (CID 154748194) is 1-(1-propylpiperidin-4-yl)-3-[(2-pyrazol-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-(1-propylpiperidin-4-yl)-3-[(2-pyrazol-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-(1-propylpiperidin-4-yl)-3-[(2-pyrazol-1-ylphenyl)methyl]urea is CCCN1CCC(NC(=O)NCc2ccccc2-n2cccn2)CC1.
What is the InChIKey of 1-(1-propylpiperidin-4-yl)-3-[(2-pyrazol-1-ylphenyl)methyl]urea?
The InChIKey is HVRUHPWZEWCBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-2-11-23-13-8-17(9-14-23)22-19(25)20-15-16-6-3-4-7-18(16)24-12-5-10-21-24/h3-7,10,12,17H,2,8-9,11,13-15H2,1H3,(H2,20,22,25).
What are the key properties of 1-(1-propylpiperidin-4-yl)-3-[(2-pyrazol-1-ylphenyl)methyl]urea?
1-(1-propylpiperidin-4-yl)-3-[(2-pyrazol-1-ylphenyl)methyl]urea has a molecular weight of 341.46 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylpiperidin-4-yl)-3-[(2-pyrazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 154748194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).