1-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]-3-phenylurea

C24H29N5O2 — CID 45486737

IUPAC1-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]-3-phenylurea
SMILESCn1nccc1-c1cc(NC(=O)Nc2ccccc2)ccc1OCCN1CCCCC1
InChIInChI=1S/C24H29N5O2/c1-28-22(12-13-25-28)21-18-20(27-24(30)26-19-8-4-2-5-9-19)10-11-23(21)31-17-16-29-14-6-3-7-15-29/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3,(H2,26,27,30)
InChIKeyRAHFMWIVAWRIBA-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.60
Rot. Bonds7

About 1-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]-3-phenylurea

1-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]-3-phenylurea (PubChem CID 45486737) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]-3-phenylurea
PubChem CID45486737
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name1-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]-3-phenylurea
SMILESCn1nccc1-c1cc(NC(=O)Nc2ccccc2)ccc1OCCN1CCCCC1
InChIInChI=1S/C24H29N5O2/c1-28-22(12-13-25-28)21-18-20(27-24(30)26-19-8-4-2-5-9-19)10-11-23(21)31-17-16-29-14-6-3-7-15-29/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3,(H2,26,27,30)
InChIKeyRAHFMWIVAWRIBA-UHFFFAOYSA-N
XLogP4.60
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Nelotanserin
CID 11683556
Temanogrel
CID 25177971
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(3,5-difluoro-phenyl)urea
CID 11154832
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-ethoxy-phenyl]-3-(4-Chloro-phenyl)-urea
CID 11166827
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(3-cyano-phenyl)-urea
CID 11258838
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-bromo-phenyl)-urea
CID 11294575
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-isopropoxy-phenyl]-3-(4-Chloro-phenyl)-urea
CID 11328744
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-trifluoromethyl-phenyl)urea
CID 11374796
1-[3-(4-Chloro-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-Chloro-phenyl)-urea
CID 11429246
1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-3-(2,4-difluorophenyl)urea
CID 11497283
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(2-fluoro-phenyl)-urea
CID 11531833
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(3-fluoro-phenyl)-urea
CID 11567937

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]-3-phenylurea?
The IUPAC name of 1-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]-3-phenylurea (CID 45486737) is 1-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]-3-phenylurea?
The canonical SMILES for 1-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]-3-phenylurea is Cn1nccc1-c1cc(NC(=O)Nc2ccccc2)ccc1OCCN1CCCCC1.
What is the InChIKey of 1-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]-3-phenylurea?
The InChIKey is RAHFMWIVAWRIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-28-22(12-13-25-28)21-18-20(27-24(30)26-19-8-4-2-5-9-19)10-11-23(21)31-17-16-29-14-6-3-7-15-29/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3,(H2,26,27,30).
What are the key properties of 1-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]-3-phenylurea?
1-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]-3-phenylurea has a molecular weight of 419.53 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]-3-phenylurea is sourced from PubChem (CID 45486737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).