5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4-carboxamide

C12H21N5O — CID 63235520

IUPAC5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCN1CCC(CN(C)C(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C12H21N5O/c1-16-5-3-9(4-6-16)8-17(2)12(18)10-7-14-15-11(10)13/h7,9H,3-6,8H2,1-2H3,(H3,13,14,15)
InChIKeyKGCTZKBJRJKPLY-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.41
Rot. Bonds3

About 5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4-carboxamide

5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 63235520) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID63235520
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCN1CCC(CN(C)C(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C12H21N5O/c1-16-5-3-9(4-6-16)8-17(2)12(18)10-7-14-15-11(10)13/h7,9H,3-6,8H2,1-2H3,(H3,13,14,15)
InChIKeyKGCTZKBJRJKPLY-UHFFFAOYSA-N
XLogP0.41
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 63233409
4-amino-5-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 63233091
5-amino-N-methyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 61435935
5-amino-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 61435982
4-amino-3,5-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 82813179
6-amino-3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 63235274
2,6-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 106993833
5-bromo-2-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 63236918
4-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63236434
5-amino-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 54948229
5-amino-N-butyl-N-methyl-1H-pyrazole-4-carboxamide
CID 43159518
(5-amino-1H-pyrazol-4-yl)-(4-ethylpiperidin-1-yl)methanone
CID 61421520

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4-carboxamide (CID 63235520) is 5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4-carboxamide is CN1CCC(CN(C)C(=O)c2cn[nH]c2N)CC1.
What is the InChIKey of 5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is KGCTZKBJRJKPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-16-5-3-9(4-6-16)8-17(2)12(18)10-7-14-15-11(10)13/h7,9H,3-6,8H2,1-2H3,(H3,13,14,15).
What are the key properties of 5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4-carboxamide?
5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63235520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).