N-[(3-hydroxypiperidin-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide

C14H24N4O2 — CID 72847093

IUPACN-[(3-hydroxypiperidin-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCC2(O)CCCNC2)c1C
InChIInChI=1S/C14H24N4O2/c1-3-7-18-11(2)12(8-17-18)13(19)16-10-14(20)5-4-6-15-9-14/h8,15,20H,3-7,9-10H2,1-2H3,(H,16,19)
InChIKeyWXAIEOIFQVPPEN-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.45
Rot. Bonds5

About N-[(3-hydroxypiperidin-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide

N-[(3-hydroxypiperidin-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide (PubChem CID 72847093) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(3-hydroxypiperidin-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxypiperidin-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide
PubChem CID72847093
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-[(3-hydroxypiperidin-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCC2(O)CCCNC2)c1C
InChIInChI=1S/C14H24N4O2/c1-3-7-18-11(2)12(8-17-18)13(19)16-10-14(20)5-4-6-15-9-14/h8,15,20H,3-7,9-10H2,1-2H3,(H,16,19)
InChIKeyWXAIEOIFQVPPEN-UHFFFAOYSA-N
XLogP0.45
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypiperidin-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[(3-hydroxypiperidin-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide (CID 72847093) is N-[(3-hydroxypiperidin-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxypiperidin-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3-hydroxypiperidin-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)NCC2(O)CCCNC2)c1C.
What is the InChIKey of N-[(3-hydroxypiperidin-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide?
The InChIKey is WXAIEOIFQVPPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-7-18-11(2)12(8-17-18)13(19)16-10-14(20)5-4-6-15-9-14/h8,15,20H,3-7,9-10H2,1-2H3,(H,16,19).
What are the key properties of N-[(3-hydroxypiperidin-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide?
N-[(3-hydroxypiperidin-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypiperidin-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 72847093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).