[3-(1-methylpyrrol-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea

C16H13N5O2 — CID 5329659

IUPAC[3-(1-methylpyrrol-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea
SMILESCn1ccc(-c2n[nH]c3c2C(=O)c2c(NC(N)=O)cccc2-3)c1
InChIInChI=1S/C16H13N5O2/c1-21-6-5-8(7-21)13-12-14(20-19-13)9-3-2-4-10(18-16(17)23)11(9)15(12)22/h2-7H,1H3,(H,19,20)(H3,17,18,23)
InChIKeyUQBQAVMSJUVQLF-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.12
Rot. Bonds2

About [3-(1-methylpyrrol-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea

[3-(1-methylpyrrol-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea (PubChem CID 5329659) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is [3-(1-methylpyrrol-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea.

Molecular Properties

Compound Name[3-(1-methylpyrrol-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea
PubChem CID5329659
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name[3-(1-methylpyrrol-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea
SMILESCn1ccc(-c2n[nH]c3c2C(=O)c2c(NC(N)=O)cccc2-3)c1
InChIInChI=1S/C16H13N5O2/c1-21-6-5-8(7-21)13-12-14(20-19-13)9-3-2-4-10(18-16(17)23)11(9)15(12)22/h2-7H,1H3,(H,19,20)(H3,17,18,23)
InChIKeyUQBQAVMSJUVQLF-UHFFFAOYSA-N
XLogP2.12
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpyrrol-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea?
The IUPAC name of [3-(1-methylpyrrol-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea (CID 5329659) is [3-(1-methylpyrrol-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea.
What is the SMILES notation for [3-(1-methylpyrrol-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea?
The canonical SMILES for [3-(1-methylpyrrol-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea is Cn1ccc(-c2n[nH]c3c2C(=O)c2c(NC(N)=O)cccc2-3)c1.
What is the InChIKey of [3-(1-methylpyrrol-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea?
The InChIKey is UQBQAVMSJUVQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-21-6-5-8(7-21)13-12-14(20-19-13)9-3-2-4-10(18-16(17)23)11(9)15(12)22/h2-7H,1H3,(H,19,20)(H3,17,18,23).
What are the key properties of [3-(1-methylpyrrol-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea?
[3-(1-methylpyrrol-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea has a molecular weight of 307.31 g/mol, XLogP of 2.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpyrrol-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea is sourced from PubChem (CID 5329659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).