1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3R)-oxolan-3-yl]methyl]urea

C20H26N4O2 — CID 94782047

IUPAC1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3R)-oxolan-3-yl]methyl]urea
SMILESCc1cc(C)n(-c2ccccc2NC(=O)N(C[C@H]2CCOC2)C2CC2)n1
InChIInChI=1S/C20H26N4O2/c1-14-11-15(2)24(22-14)19-6-4-3-5-18(19)21-20(25)23(17-7-8-17)12-16-9-10-26-13-16/h3-6,11,16-17H,7-10,12-13H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyRRBHMVVYSZFJAW-MRXNPFEDSA-N
MW354.45 g/mol
LogP3.52
Rot. Bonds5

About 1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3R)-oxolan-3-yl]methyl]urea

1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3R)-oxolan-3-yl]methyl]urea (PubChem CID 94782047) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3R)-oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3R)-oxolan-3-yl]methyl]urea
PubChem CID94782047
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3R)-oxolan-3-yl]methyl]urea
SMILESCc1cc(C)n(-c2ccccc2NC(=O)N(C[C@H]2CCOC2)C2CC2)n1
InChIInChI=1S/C20H26N4O2/c1-14-11-15(2)24(22-14)19-6-4-3-5-18(19)21-20(25)23(17-7-8-17)12-16-9-10-26-13-16/h3-6,11,16-17H,7-10,12-13H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyRRBHMVVYSZFJAW-MRXNPFEDSA-N
XLogP3.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]urea
CID 72870768
3-(2-chloro-3-pyridinyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 47434717
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95597649
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109396961
1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea
CID 126775286
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea
CID 94182434
1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 47032244
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754558
(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104605
3-(1-acetyl-2,3-dihydroindol-5-yl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 75414860
N-cyclopropyl-5,7-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 94171321
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 43074025

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3R)-oxolan-3-yl]methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3R)-oxolan-3-yl]methyl]urea (CID 94782047) is 1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3R)-oxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3R)-oxolan-3-yl]methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3R)-oxolan-3-yl]methyl]urea is Cc1cc(C)n(-c2ccccc2NC(=O)N(C[C@H]2CCOC2)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3R)-oxolan-3-yl]methyl]urea?
The InChIKey is RRBHMVVYSZFJAW-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-11-15(2)24(22-14)19-6-4-3-5-18(19)21-20(25)23(17-7-8-17)12-16-9-10-26-13-16/h3-6,11,16-17H,7-10,12-13H2,1-2H3,(H,21,25)/t16-/m1/s1.
What are the key properties of 1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3R)-oxolan-3-yl]methyl]urea?
1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3R)-oxolan-3-yl]methyl]urea has a molecular weight of 354.45 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3R)-oxolan-3-yl]methyl]urea is sourced from PubChem (CID 94782047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).