5-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

C16H22N6O2 — CID 71926929

IUPAC5-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCc1cnn(CCC(=O)N2CCCC(c3cc(C(N)=O)n[nH]3)C2)c1
InChIInChI=1S/C16H22N6O2/c1-11-8-18-22(9-11)6-4-15(23)21-5-2-3-12(10-21)13-7-14(16(17)24)20-19-13/h7-9,12H,2-6,10H2,1H3,(H2,17,24)(H,19,20)
InChIKeyNOIBFDNODMITDN-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.81
Rot. Bonds5

About 5-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 71926929) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID71926929
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name5-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCc1cnn(CCC(=O)N2CCCC(c3cc(C(N)=O)n[nH]3)C2)c1
InChIInChI=1S/C16H22N6O2/c1-11-8-18-22(9-11)6-4-15(23)21-5-2-3-12(10-21)13-7-14(16(17)24)20-19-13/h7-9,12H,2-6,10H2,1H3,(H2,17,24)(H,19,20)
InChIKeyNOIBFDNODMITDN-UHFFFAOYSA-N
XLogP0.81
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US10022354, Example 2
CID 95834606
US10022354, Example 1
CID 95834607
US10022354, Example 78
CID 110264830
US10022354, Example 46
CID 121279427
US10022354, Example 47
CID 121279428
US10022354, Example 45
CID 121279684
US10022354, Example 59
CID 121279710
US10022354, Example 108
CID 121279610
US10022354, Example 58
CID 132070185
[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 121279698
US10022354, Example 165
CID 121279436
US10022354, Example 6
CID 121279519

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 71926929) is 5-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is Cc1cnn(CCC(=O)N2CCCC(c3cc(C(N)=O)n[nH]3)C2)c1.
What is the InChIKey of 5-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is NOIBFDNODMITDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-11-8-18-22(9-11)6-4-15(23)21-5-2-3-12(10-21)13-7-14(16(17)24)20-19-13/h7-9,12H,2-6,10H2,1H3,(H2,17,24)(H,19,20).
What are the key properties of 5-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71926929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).