(5-methyl-1-propylpyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C16H23N5O — CID 56751754

IUPAC(5-methyl-1-propylpyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCCn1ncc(C(=O)N2CCCC(c3ccn[nH]3)C2)c1C
InChIInChI=1S/C16H23N5O/c1-3-8-21-12(2)14(10-18-21)16(22)20-9-4-5-13(11-20)15-6-7-17-19-15/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,17,19)
InChIKeyBMMJNXJUJQHLCC-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.34
Rot. Bonds4

About (5-methyl-1-propylpyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

(5-methyl-1-propylpyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 56751754) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (5-methyl-1-propylpyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1-propylpyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID56751754
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(5-methyl-1-propylpyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCCn1ncc(C(=O)N2CCCC(c3ccn[nH]3)C2)c1C
InChIInChI=1S/C16H23N5O/c1-3-8-21-12(2)14(10-18-21)16(22)20-9-4-5-13(11-20)15-6-7-17-19-15/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,17,19)
InChIKeyBMMJNXJUJQHLCC-UHFFFAOYSA-N
XLogP2.34
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-propylpyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1-propylpyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 56751754) is (5-methyl-1-propylpyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1-propylpyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1-propylpyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is CCCn1ncc(C(=O)N2CCCC(c3ccn[nH]3)C2)c1C.
What is the InChIKey of (5-methyl-1-propylpyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is BMMJNXJUJQHLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-3-8-21-12(2)14(10-18-21)16(22)20-9-4-5-13(11-20)15-6-7-17-19-15/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,17,19).
What are the key properties of (5-methyl-1-propylpyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(5-methyl-1-propylpyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 301.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-propylpyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56751754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).