5-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide

C15H22N6O — CID 154756104

IUPAC5-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
SMILESCn1nccc1CCN1CCCCC1c1[nH]ncc1C(N)=O
InChIInChI=1S/C15H22N6O/c1-20-11(5-7-18-20)6-9-21-8-3-2-4-13(21)14-12(15(16)22)10-17-19-14/h5,7,10,13H,2-4,6,8-9H2,1H3,(H2,16,22)(H,17,19)
InChIKeyZWCMYMPSVJACNA-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.01
Rot. Bonds5

About 5-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide

5-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 154756104) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID154756104
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name5-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
SMILESCn1nccc1CCN1CCCCC1c1[nH]ncc1C(N)=O
InChIInChI=1S/C15H22N6O/c1-20-11(5-7-18-20)6-9-21-8-3-2-4-13(21)14-12(15(16)22)10-17-19-14/h5,7,10,13H,2-4,6,8-9H2,1H3,(H2,16,22)(H,17,19)
InChIKeyZWCMYMPSVJACNA-UHFFFAOYSA-N
XLogP1.01
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide (CID 154756104) is 5-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide is Cn1nccc1CCN1CCCCC1c1[nH]ncc1C(N)=O.
What is the InChIKey of 5-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is ZWCMYMPSVJACNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-20-11(5-7-18-20)6-9-21-8-3-2-4-13(21)14-12(15(16)22)10-17-19-14/h5,7,10,13H,2-4,6,8-9H2,1H3,(H2,16,22)(H,17,19).
What are the key properties of 5-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide?
5-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 154756104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).