1-[2-(2-methylphenyl)pyrazol-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea

C18H20N6O — CID 75515741

IUPAC1-[2-(2-methylphenyl)pyrazol-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
SMILESCc1ccccc1-n1nccc1NC(=O)NC1CCc2[nH]ncc2C1
InChIInChI=1S/C18H20N6O/c1-12-4-2-3-5-16(12)24-17(8-9-20-24)22-18(25)21-14-6-7-15-13(10-14)11-19-23-15/h2-5,8-9,11,14H,6-7,10H2,1H3,(H,19,23)(H2,21,22,25)
InChIKeyVRTWRCPXWRFTLY-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.58
Rot. Bonds3

About 1-[2-(2-methylphenyl)pyrazol-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea

1-[2-(2-methylphenyl)pyrazol-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea (PubChem CID 75515741) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)pyrazol-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)pyrazol-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
PubChem CID75515741
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name1-[2-(2-methylphenyl)pyrazol-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
SMILESCc1ccccc1-n1nccc1NC(=O)NC1CCc2[nH]ncc2C1
InChIInChI=1S/C18H20N6O/c1-12-4-2-3-5-16(12)24-17(8-9-20-24)22-18(25)21-14-6-7-15-13(10-14)11-19-23-15/h2-5,8-9,11,14H,6-7,10H2,1H3,(H,19,23)(H2,21,22,25)
InChIKeyVRTWRCPXWRFTLY-UHFFFAOYSA-N
XLogP2.58
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenyl)pyrazol-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
The IUPAC name of 1-[2-(2-methylphenyl)pyrazol-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea (CID 75515741) is 1-[2-(2-methylphenyl)pyrazol-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea.
What is the SMILES notation for 1-[2-(2-methylphenyl)pyrazol-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
The canonical SMILES for 1-[2-(2-methylphenyl)pyrazol-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea is Cc1ccccc1-n1nccc1NC(=O)NC1CCc2[nH]ncc2C1.
What is the InChIKey of 1-[2-(2-methylphenyl)pyrazol-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
The InChIKey is VRTWRCPXWRFTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-4-2-3-5-16(12)24-17(8-9-20-24)22-18(25)21-14-6-7-15-13(10-14)11-19-23-15/h2-5,8-9,11,14H,6-7,10H2,1H3,(H,19,23)(H2,21,22,25).
What are the key properties of 1-[2-(2-methylphenyl)pyrazol-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
1-[2-(2-methylphenyl)pyrazol-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea has a molecular weight of 336.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenyl)pyrazol-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea is sourced from PubChem (CID 75515741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).