3-cyclopropyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide

C17H29N5O — CID 46963307

IUPAC3-cyclopropyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCN1CCC(CNC(=O)c2cc(C3CC3)nn2C)(N(C)C)CC1
InChIInChI=1S/C17H29N5O/c1-20(2)17(7-9-21(3)10-8-17)12-18-16(23)15-11-14(13-5-6-13)19-22(15)4/h11,13H,5-10,12H2,1-4H3,(H,18,23)
InChIKeySGWLENIHHZRCMI-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.05
Rot. Bonds5

About 3-cyclopropyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide

3-cyclopropyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide (PubChem CID 46963307) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-cyclopropyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide
PubChem CID46963307
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name3-cyclopropyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCN1CCC(CNC(=O)c2cc(C3CC3)nn2C)(N(C)C)CC1
InChIInChI=1S/C17H29N5O/c1-20(2)17(7-9-21(3)10-8-17)12-18-16(23)15-11-14(13-5-6-13)19-22(15)4/h11,13H,5-10,12H2,1-4H3,(H,18,23)
InChIKeySGWLENIHHZRCMI-UHFFFAOYSA-N
XLogP1.05
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide (CID 46963307) is 3-cyclopropyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide is CN1CCC(CNC(=O)c2cc(C3CC3)nn2C)(N(C)C)CC1.
What is the InChIKey of 3-cyclopropyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is SGWLENIHHZRCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-20(2)17(7-9-21(3)10-8-17)12-18-16(23)15-11-14(13-5-6-13)19-22(15)4/h11,13H,5-10,12H2,1-4H3,(H,18,23).
What are the key properties of 3-cyclopropyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide?
3-cyclopropyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 46963307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).