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

C12H21N5O — CID 63233409

IUPAC4-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCN1CCC(CN(C)C(=O)c2[nH]ncc2N)CC1
InChIInChI=1S/C12H21N5O/c1-16-5-3-9(4-6-16)8-17(2)12(18)11-10(13)7-14-15-11/h7,9H,3-6,8,13H2,1-2H3,(H,14,15)
InChIKeyUXPXVNAXDDHKKY-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.41
Rot. Bonds3

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

4-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 63233409) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID63233409
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCN1CCC(CN(C)C(=O)c2[nH]ncc2N)CC1
InChIInChI=1S/C12H21N5O/c1-16-5-3-9(4-6-16)8-17(2)12(18)11-10(13)7-14-15-11/h7,9H,3-6,8,13H2,1-2H3,(H,14,15)
InChIKeyUXPXVNAXDDHKKY-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

5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 63235520
4-amino-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 55178218
4-amino-3,5-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 82813179
4-amino-5-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 63233091
6-amino-3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 63235274
4-amino-N-methyl-N-propyl-1H-pyrazole-5-carboxamide
CID 63102288
4-amino-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 63107047
4-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63236434
4-amino-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63104142
2-amino-6-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 81393986
2-amino-N-methyl-N-[[1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 166384232
6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 63235015

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide (CID 63233409) is 4-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide is CN1CCC(CN(C)C(=O)c2[nH]ncc2N)CC1.
What is the InChIKey of 4-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is UXPXVNAXDDHKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-16-5-3-9(4-6-16)8-17(2)12(18)11-10(13)7-14-15-11/h7,9H,3-6,8,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide?
4-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-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 4-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63233409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).