[1-(cyclopropylmethyl)piperidin-3-yl]-(1-phenylpyrazol-4-yl)methanone

C19H23N3O — CID 121479053

IUPAC[1-(cyclopropylmethyl)piperidin-3-yl]-(1-phenylpyrazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)c1)C1CCCN(CC2CC2)C1
InChIInChI=1S/C19H23N3O/c23-19(16-5-4-10-21(13-16)12-15-8-9-15)17-11-20-22(14-17)18-6-2-1-3-7-18/h1-3,6-7,11,14-16H,4-5,8-10,12-13H2
InChIKeyXOIDLSKXTNAWBW-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.18
Rot. Bonds5

About [1-(cyclopropylmethyl)piperidin-3-yl]-(1-phenylpyrazol-4-yl)methanone

[1-(cyclopropylmethyl)piperidin-3-yl]-(1-phenylpyrazol-4-yl)methanone (PubChem CID 121479053) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)piperidin-3-yl]-(1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)piperidin-3-yl]-(1-phenylpyrazol-4-yl)methanone
PubChem CID121479053
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[1-(cyclopropylmethyl)piperidin-3-yl]-(1-phenylpyrazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)c1)C1CCCN(CC2CC2)C1
InChIInChI=1S/C19H23N3O/c23-19(16-5-4-10-21(13-16)12-15-8-9-15)17-11-20-22(14-17)18-6-2-1-3-7-18/h1-3,6-7,11,14-16H,4-5,8-10,12-13H2
InChIKeyXOIDLSKXTNAWBW-UHFFFAOYSA-N
XLogP3.18
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)piperidin-3-yl]-(1-phenylpyrazol-4-yl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)piperidin-3-yl]-(1-phenylpyrazol-4-yl)methanone (CID 121479053) is [1-(cyclopropylmethyl)piperidin-3-yl]-(1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)piperidin-3-yl]-(1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)piperidin-3-yl]-(1-phenylpyrazol-4-yl)methanone is O=C(c1cnn(-c2ccccc2)c1)C1CCCN(CC2CC2)C1.
What is the InChIKey of [1-(cyclopropylmethyl)piperidin-3-yl]-(1-phenylpyrazol-4-yl)methanone?
The InChIKey is XOIDLSKXTNAWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(16-5-4-10-21(13-16)12-15-8-9-15)17-11-20-22(14-17)18-6-2-1-3-7-18/h1-3,6-7,11,14-16H,4-5,8-10,12-13H2.
What are the key properties of [1-(cyclopropylmethyl)piperidin-3-yl]-(1-phenylpyrazol-4-yl)methanone?
[1-(cyclopropylmethyl)piperidin-3-yl]-(1-phenylpyrazol-4-yl)methanone has a molecular weight of 309.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)piperidin-3-yl]-(1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 121479053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).