1-[2-(2-methylpropyl)pyrazol-3-yl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea

C16H27N5O2 — CID 118779891

IUPAC1-[2-(2-methylpropyl)pyrazol-3-yl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea
SMILESCC(C)Cn1nccc1NC(=O)N[C@H]1COC[C@@H]1N1CCCC1
InChIInChI=1S/C16H27N5O2/c1-12(2)9-21-15(5-6-17-21)19-16(22)18-13-10-23-11-14(13)20-7-3-4-8-20/h5-6,12-14H,3-4,7-11H2,1-2H3,(H2,18,19,22)/t13-,14-/m0/s1
InChIKeyTVRUGFGZVOQSSV-KBPBESRZSA-N
MW321.42 g/mol
LogP1.52
Rot. Bonds5

About 1-[2-(2-methylpropyl)pyrazol-3-yl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea

1-[2-(2-methylpropyl)pyrazol-3-yl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea (PubChem CID 118779891) has the molecular formula C16H27N5O2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[2-(2-methylpropyl)pyrazol-3-yl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea.

Molecular Properties

Compound Name1-[2-(2-methylpropyl)pyrazol-3-yl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea
PubChem CID118779891
Molecular FormulaC16H27N5O2
Molecular Weight321.42 g/mol
Exact Mass321.22
IUPAC Name1-[2-(2-methylpropyl)pyrazol-3-yl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea
SMILESCC(C)Cn1nccc1NC(=O)N[C@H]1COC[C@@H]1N1CCCC1
InChIInChI=1S/C16H27N5O2/c1-12(2)9-21-15(5-6-17-21)19-16(22)18-13-10-23-11-14(13)20-7-3-4-8-20/h5-6,12-14H,3-4,7-11H2,1-2H3,(H2,18,19,22)/t13-,14-/m0/s1
InChIKeyTVRUGFGZVOQSSV-KBPBESRZSA-N
XLogP1.52
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2-methylpropyl)pyrazol-3-yl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea with MolForge

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Related Compounds

(3S)-3-hydroxy-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 111102205
1-naphthalen-2-yl-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea
CID 133138704
1-[3-(difluoromethoxy)phenyl]-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea
CID 133129107
1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-3-(4-piperidin-1-yloxolan-3-yl)urea
CID 156607927
4-(cyclohexylcarbamoylamino)-N-[2-(2-methylpropyl)pyrazol-3-yl]butanamide
CID 35447449
tert-butyl 4-[[2-(2-methylpropyl)pyrazol-3-yl]carbamoyl]piperidine-1-carboxylate
CID 60601124
1-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-3-(2,3,5-trifluorophenyl)urea
CID 133134827
1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea
CID 118793961
N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-(4-propanoylphenoxy)acetamide
CID 133139049
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea
CID 110936089
4-fluoro-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35327495
N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide
CID 122560557

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropyl)pyrazol-3-yl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea?
The IUPAC name of 1-[2-(2-methylpropyl)pyrazol-3-yl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea (CID 118779891) is 1-[2-(2-methylpropyl)pyrazol-3-yl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea.
What is the SMILES notation for 1-[2-(2-methylpropyl)pyrazol-3-yl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea?
The canonical SMILES for 1-[2-(2-methylpropyl)pyrazol-3-yl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea is CC(C)Cn1nccc1NC(=O)N[C@H]1COC[C@@H]1N1CCCC1.
What is the InChIKey of 1-[2-(2-methylpropyl)pyrazol-3-yl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea?
The InChIKey is TVRUGFGZVOQSSV-KBPBESRZSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-12(2)9-21-15(5-6-17-21)19-16(22)18-13-10-23-11-14(13)20-7-3-4-8-20/h5-6,12-14H,3-4,7-11H2,1-2H3,(H2,18,19,22)/t13-,14-/m0/s1.
What are the key properties of 1-[2-(2-methylpropyl)pyrazol-3-yl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea?
1-[2-(2-methylpropyl)pyrazol-3-yl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea has a molecular weight of 321.42 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropyl)pyrazol-3-yl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea is sourced from PubChem (CID 118779891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).