4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyrimidine

C18H19N5 — CID 22973174

IUPAC4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyrimidine
SMILESc1ccc(-c2n[nH]c(C3CCNCC3)c2-c2ccncn2)cc1
InChIInChI=1S/C18H19N5/c1-2-4-13(5-3-1)17-16(15-8-11-20-12-21-15)18(23-22-17)14-6-9-19-10-7-14/h1-5,8,11-12,14,19H,6-7,9-10H2,(H,22,23)
InChIKeySCMNKATXHRJZMN-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.00
Rot. Bonds3

About 4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyrimidine

4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyrimidine (PubChem CID 22973174) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyrimidine
PubChem CID22973174
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyrimidine
SMILESc1ccc(-c2n[nH]c(C3CCNCC3)c2-c2ccncn2)cc1
InChIInChI=1S/C18H19N5/c1-2-4-13(5-3-1)17-16(15-8-11-20-12-21-15)18(23-22-17)14-6-9-19-10-7-14/h1-5,8,11-12,14,19H,6-7,9-10H2,(H,22,23)
InChIKeySCMNKATXHRJZMN-UHFFFAOYSA-N
XLogP3.00
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyrimidine?
The IUPAC name of 4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyrimidine (CID 22973174) is 4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyrimidine.
What is the SMILES notation for 4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyrimidine?
The canonical SMILES for 4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyrimidine is c1ccc(-c2n[nH]c(C3CCNCC3)c2-c2ccncn2)cc1.
What is the InChIKey of 4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyrimidine?
The InChIKey is SCMNKATXHRJZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-2-4-13(5-3-1)17-16(15-8-11-20-12-21-15)18(23-22-17)14-6-9-19-10-7-14/h1-5,8,11-12,14,19H,6-7,9-10H2,(H,22,23).
What are the key properties of 4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyrimidine?
4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyrimidine has a molecular weight of 305.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyrimidine is sourced from PubChem (CID 22973174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).