1-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-hydroxypropan-2-yl)urea

C14H16Cl2N4O2 — CID 119034354

IUPAC1-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C14H16Cl2N4O2/c1-9(8-21)18-14(22)19-12-5-6-17-20(12)7-10-3-2-4-11(15)13(10)16/h2-6,9,21H,7-8H2,1H3,(H2,18,19,22)
InChIKeyIAKJTQWWZHCLBO-UHFFFAOYSA-N
MW343.21 g/mol
LogP2.74
Rot. Bonds5

About 1-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-hydroxypropan-2-yl)urea

1-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-hydroxypropan-2-yl)urea (PubChem CID 119034354) has the molecular formula C14H16Cl2N4O2 and a molecular weight of 343.21 g/mol. Its IUPAC name is 1-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-hydroxypropan-2-yl)urea
PubChem CID119034354
Molecular FormulaC14H16Cl2N4O2
Molecular Weight343.21 g/mol
Exact Mass342.07
IUPAC Name1-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C14H16Cl2N4O2/c1-9(8-21)18-14(22)19-12-5-6-17-20(12)7-10-3-2-4-11(15)13(10)16/h2-6,9,21H,7-8H2,1H3,(H2,18,19,22)
InChIKeyIAKJTQWWZHCLBO-UHFFFAOYSA-N
XLogP2.74
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-hydroxypropan-2-yl)urea (CID 119034354) is 1-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-hydroxypropan-2-yl)urea is CC(CO)NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-hydroxypropan-2-yl)urea?
The InChIKey is IAKJTQWWZHCLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O2/c1-9(8-21)18-14(22)19-12-5-6-17-20(12)7-10-3-2-4-11(15)13(10)16/h2-6,9,21H,7-8H2,1H3,(H2,18,19,22).
What are the key properties of 1-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-hydroxypropan-2-yl)urea?
1-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 343.21 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 119034354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).