1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-pyrazol-1-ylphenyl)urea

C19H23N5O2 — CID 47040924

IUPAC1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-pyrazol-1-ylphenyl)urea
SMILESO=C(Nc1ccccc1-n1cccn1)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H23N5O2/c25-18(14-6-7-14)23-12-8-15(9-13-23)21-19(26)22-16-4-1-2-5-17(16)24-11-3-10-20-24/h1-5,10-11,14-15H,6-9,12-13H2,(H2,21,22,26)
InChIKeyCEMMLQMYQWKBHD-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.39
Rot. Bonds4

About 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-pyrazol-1-ylphenyl)urea

1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-pyrazol-1-ylphenyl)urea (PubChem CID 47040924) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-pyrazol-1-ylphenyl)urea
PubChem CID47040924
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-pyrazol-1-ylphenyl)urea
SMILESO=C(Nc1ccccc1-n1cccn1)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H23N5O2/c25-18(14-6-7-14)23-12-8-15(9-13-23)21-19(26)22-16-4-1-2-5-17(16)24-11-3-10-20-24/h1-5,10-11,14-15H,6-9,12-13H2,(H2,21,22,26)
InChIKeyCEMMLQMYQWKBHD-UHFFFAOYSA-N
XLogP2.39
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-pyrazol-1-ylphenyl)urea (CID 47040924) is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-pyrazol-1-ylphenyl)urea is O=C(Nc1ccccc1-n1cccn1)NC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-pyrazol-1-ylphenyl)urea?
The InChIKey is CEMMLQMYQWKBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-18(14-6-7-14)23-12-8-15(9-13-23)21-19(26)22-16-4-1-2-5-17(16)24-11-3-10-20-24/h1-5,10-11,14-15H,6-9,12-13H2,(H2,21,22,26).
What are the key properties of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-pyrazol-1-ylphenyl)urea?
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-pyrazol-1-ylphenyl)urea has a molecular weight of 353.43 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 47040924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).