1-[(1-cyclopropylcyclopropyl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea

C18H28N4O2 — CID 128975011

IUPAC1-[(1-cyclopropylcyclopropyl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)NCC1(C2CC2)CC1
InChIInChI=1S/C18H28N4O2/c1-11-15(12(2)22(3)21-11)16-14(6-9-24-16)20-17(23)19-10-18(7-8-18)13-4-5-13/h13-14,16H,4-10H2,1-3H3,(H2,19,20,23)/t14-,16-/m0/s1
InChIKeyNSDVWTLVTCBBEE-HOCLYGCPSA-N
MW332.45 g/mol
LogP2.36
Rot. Bonds5

About 1-[(1-cyclopropylcyclopropyl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea

1-[(1-cyclopropylcyclopropyl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea (PubChem CID 128975011) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[(1-cyclopropylcyclopropyl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea.

Molecular Properties

Compound Name1-[(1-cyclopropylcyclopropyl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea
PubChem CID128975011
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-[(1-cyclopropylcyclopropyl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)NCC1(C2CC2)CC1
InChIInChI=1S/C18H28N4O2/c1-11-15(12(2)22(3)21-11)16-14(6-9-24-16)20-17(23)19-10-18(7-8-18)13-4-5-13/h13-14,16H,4-10H2,1-3H3,(H2,19,20,23)/t14-,16-/m0/s1
InChIKeyNSDVWTLVTCBBEE-HOCLYGCPSA-N
XLogP2.36
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]carbamoylamino]methyl]benzoic acid
CID 122020735
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea
CID 128994464
1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea
CID 154753476
2-cyclopropyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide
CID 128973060
1-[1-(oxolan-3-yl)ethyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea
CID 128990703
1-[(1R)-1-(furan-2-yl)ethyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea
CID 129331100
(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 86812166
6-oxo-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1H-pyridine-3-carboxamide
CID 128974398
2-oxo-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1H-pyridine-3-carboxamide
CID 128972251
trans-(1R,2R)-2-(4-chlorophenyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide
CID 126800771
(2R,3S)-N-(1-ethylsulfonylpropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
CID 129006792
2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
CID 122235494

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropylcyclopropyl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea?
The IUPAC name of 1-[(1-cyclopropylcyclopropyl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea (CID 128975011) is 1-[(1-cyclopropylcyclopropyl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea.
What is the SMILES notation for 1-[(1-cyclopropylcyclopropyl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea?
The canonical SMILES for 1-[(1-cyclopropylcyclopropyl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea is Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)NCC1(C2CC2)CC1.
What is the InChIKey of 1-[(1-cyclopropylcyclopropyl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea?
The InChIKey is NSDVWTLVTCBBEE-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-11-15(12(2)22(3)21-11)16-14(6-9-24-16)20-17(23)19-10-18(7-8-18)13-4-5-13/h13-14,16H,4-10H2,1-3H3,(H2,19,20,23)/t14-,16-/m0/s1.
What are the key properties of 1-[(1-cyclopropylcyclopropyl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea?
1-[(1-cyclopropylcyclopropyl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea has a molecular weight of 332.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropylcyclopropyl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea is sourced from PubChem (CID 128975011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).