3-(3-chlorophenyl)-N-(3-phenylpropyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C27H28ClN5O — CID 58628913

IUPAC3-(3-chlorophenyl)-N-(3-phenylpropyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(c1ccn2ncc(-c3cccc(Cl)c3)c2n1)N(CCCc1ccccc1)C1CCNCC1
InChIInChI=1S/C27H28ClN5O/c28-22-10-4-9-21(18-22)24-19-30-33-17-13-25(31-26(24)33)27(34)32(23-11-14-29-15-12-23)16-5-8-20-6-2-1-3-7-20/h1-4,6-7,9-10,13,17-19,23,29H,5,8,11-12,14-16H2
InChIKeyWKLNLQUFHLVKOF-UHFFFAOYSA-N
MW474.01 g/mol
LogP4.88
Rot. Bonds7

About 3-(3-chlorophenyl)-N-(3-phenylpropyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

3-(3-chlorophenyl)-N-(3-phenylpropyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 58628913) has the molecular formula C27H28ClN5O and a molecular weight of 474.01 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(3-phenylpropyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(3-phenylpropyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID58628913
Molecular FormulaC27H28ClN5O
Molecular Weight474.01 g/mol
Exact Mass473.20
IUPAC Name3-(3-chlorophenyl)-N-(3-phenylpropyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(c1ccn2ncc(-c3cccc(Cl)c3)c2n1)N(CCCc1ccccc1)C1CCNCC1
InChIInChI=1S/C27H28ClN5O/c28-22-10-4-9-21(18-22)24-19-30-33-17-13-25(31-26(24)33)27(34)32(23-11-14-29-15-12-23)16-5-8-20-6-2-1-3-7-20/h1-4,6-7,9-10,13,17-19,23,29H,5,8,11-12,14-16H2
InChIKeyWKLNLQUFHLVKOF-UHFFFAOYSA-N
XLogP4.88
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.01
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(3-phenylpropyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(3-phenylpropyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 58628913) is 3-(3-chlorophenyl)-N-(3-phenylpropyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(3-phenylpropyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(3-phenylpropyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is O=C(c1ccn2ncc(-c3cccc(Cl)c3)c2n1)N(CCCc1ccccc1)C1CCNCC1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(3-phenylpropyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is WKLNLQUFHLVKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5O/c28-22-10-4-9-21(18-22)24-19-30-33-17-13-25(31-26(24)33)27(34)32(23-11-14-29-15-12-23)16-5-8-20-6-2-1-3-7-20/h1-4,6-7,9-10,13,17-19,23,29H,5,8,11-12,14-16H2.
What are the key properties of 3-(3-chlorophenyl)-N-(3-phenylpropyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
3-(3-chlorophenyl)-N-(3-phenylpropyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 474.01 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(3-phenylpropyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 58628913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).