1-cyclopropyl-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea

C19H33N5O2 — CID 126445216

IUPAC1-cyclopropyl-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
SMILESCc1nn(C)c(C)c1CN(C(=O)NCCCN1CCC[C@@H](O)C1)C1CC1
InChIInChI=1S/C19H33N5O2/c1-14-18(15(2)22(3)21-14)13-24(16-7-8-16)19(26)20-9-5-11-23-10-4-6-17(25)12-23/h16-17,25H,4-13H2,1-3H3,(H,20,26)/t17-/m1/s1
InChIKeyFDGFQOVRPOJLNS-QGZVFWFLSA-N
MW363.51 g/mol
LogP1.56
Rot. Bonds7

About 1-cyclopropyl-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea

1-cyclopropyl-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea (PubChem CID 126445216) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
PubChem CID126445216
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name1-cyclopropyl-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
SMILESCc1nn(C)c(C)c1CN(C(=O)NCCCN1CCC[C@@H](O)C1)C1CC1
InChIInChI=1S/C19H33N5O2/c1-14-18(15(2)22(3)21-14)13-24(16-7-8-16)19(26)20-9-5-11-23-10-4-6-17(25)12-23/h16-17,25H,4-13H2,1-3H3,(H,20,26)/t17-/m1/s1
InChIKeyFDGFQOVRPOJLNS-QGZVFWFLSA-N
XLogP1.56
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopropyl-3-[(3S)-3-morpholin-4-ylbutyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 125438066
(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 129488572
1-ethyl-1-[(4-ethylphenyl)methyl]-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]urea
CID 126441274
1-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 122556095
(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 111123110
4-chloro-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 125155609
3-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-4-methylbenzamide
CID 72890543
1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 62207914
3-[3-(3-hydroxypiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 131931427
N-cyclopropyl-3,3,3-trifluoro-2-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 56879611
1-cyclopropyl-3-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]-1-(thiophen-3-ylmethyl)urea
CID 121496928
3-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 138045016

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea (CID 126445216) is 1-cyclopropyl-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea is Cc1nn(C)c(C)c1CN(C(=O)NCCCN1CCC[C@@H](O)C1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The InChIKey is FDGFQOVRPOJLNS-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-14-18(15(2)22(3)21-14)13-24(16-7-8-16)19(26)20-9-5-11-23-10-4-6-17(25)12-23/h16-17,25H,4-13H2,1-3H3,(H,20,26)/t17-/m1/s1.
What are the key properties of 1-cyclopropyl-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
1-cyclopropyl-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea has a molecular weight of 363.51 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 126445216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).