1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea

C15H16N4O2 — CID 146089692

IUPAC1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCc1oc2ccccc2c1CNC(=O)NCc1ccn[nH]1
InChIInChI=1S/C15H16N4O2/c1-10-13(12-4-2-3-5-14(12)21-10)9-17-15(20)16-8-11-6-7-18-19-11/h2-7H,8-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyOGVHWODHKIDVLE-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.46
Rot. Bonds4

About 1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea

1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea (PubChem CID 146089692) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea
PubChem CID146089692
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCc1oc2ccccc2c1CNC(=O)NCc1ccn[nH]1
InChIInChI=1S/C15H16N4O2/c1-10-13(12-4-2-3-5-14(12)21-10)9-17-15(20)16-8-11-6-7-18-19-11/h2-7H,8-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyOGVHWODHKIDVLE-UHFFFAOYSA-N
XLogP2.46
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-[(3R)-2-oxoazepan-3-yl]urea
CID 129398656
N-(1H-pyrazol-5-ylmethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 47082031
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 51084054
1-(1H-pyrazol-5-ylmethyl)-3-pyridin-2-ylurea
CID 51084990
2-methyl-N-(1H-pyrazol-5-ylmethyl)furan-3-carboxamide
CID 47285848
1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 94172004
5-chloro-4-[(2-methyl-1-benzofuran-3-yl)methylamino]-1H-pyridazin-6-one
CID 122143383
1-hydroxy-N-(1H-pyrazol-5-ylmethyl)naphthalene-2-carboxamide
CID 60975854
2-(2-methyl-1-benzofuran-3-yl)acetyl chloride
CID 142975043
(2R,4R)-4-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]-6-oxopiperidine-2-carboxamide
CID 154843368
2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 71683363
1-(2-hydroxy-1-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea
CID 110895797

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The IUPAC name of 1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea (CID 146089692) is 1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea.
What is the SMILES notation for 1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The canonical SMILES for 1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea is Cc1oc2ccccc2c1CNC(=O)NCc1ccn[nH]1.
What is the InChIKey of 1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The InChIKey is OGVHWODHKIDVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10-13(12-4-2-3-5-14(12)21-10)9-17-15(20)16-8-11-6-7-18-19-11/h2-7H,8-9H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea?
1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea has a molecular weight of 284.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea is sourced from PubChem (CID 146089692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).