1-(1-benzylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea

C16H20N4O2 — CID 94182642

IUPAC1-(1-benzylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESO=C(NC[C@H]1CCCO1)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C16H20N4O2/c21-16(17-11-14-7-4-10-22-14)18-15-8-9-20(19-15)12-13-5-2-1-3-6-13/h1-3,5-6,8-9,14H,4,7,10-12H2,(H2,17,18,19,21)/t14-/m1/s1
InChIKeyZLQVVDFTNYWZNQ-CQSZACIVSA-N
MW300.36 g/mol
LogP2.23
Rot. Bonds5

About 1-(1-benzylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea

1-(1-benzylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea (PubChem CID 94182642) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(1-benzylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
PubChem CID94182642
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-(1-benzylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESO=C(NC[C@H]1CCCO1)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C16H20N4O2/c21-16(17-11-14-7-4-10-22-14)18-15-8-9-20(19-15)12-13-5-2-1-3-6-13/h1-3,5-6,8-9,14H,4,7,10-12H2,(H2,17,18,19,21)/t14-/m1/s1
InChIKeyZLQVVDFTNYWZNQ-CQSZACIVSA-N
XLogP2.23
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 131682668
1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812547
1-(1-benzylpyrazol-3-yl)-3-[(2S,4R)-2-(2-methylpropyl)oxan-4-yl]urea
CID 97259764
N-(1-benzylpyrazol-3-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014338
1-(oxolan-2-ylmethyl)-3-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19395323
1-(1-benzylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)thiourea
CID 4768948
1-(1-benzylpyrazol-4-yl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 51389953
1-benzyl-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 24624909
3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 109015843
1-[[(2S)-oxolan-2-yl]methyl]-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea
CID 94148919
1-(5-benzyl-1,3-thiazol-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 99837165
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-(1-benzylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea (CID 94182642) is 1-(1-benzylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-(1-benzylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-(1-benzylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea is O=C(NC[C@H]1CCCO1)Nc1ccn(Cc2ccccc2)n1.
What is the InChIKey of 1-(1-benzylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea?
The InChIKey is ZLQVVDFTNYWZNQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-16(17-11-14-7-4-10-22-14)18-15-8-9-20(19-15)12-13-5-2-1-3-6-13/h1-3,5-6,8-9,14H,4,7,10-12H2,(H2,17,18,19,21)/t14-/m1/s1.
What are the key properties of 1-(1-benzylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea?
1-(1-benzylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea has a molecular weight of 300.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 94182642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).