4-amino-1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-3-carboxamide

C11H19N5O — CID 106021956

IUPAC4-amino-1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-3-carboxamide
SMILESCN1CCCC1CNC(=O)c1nn(C)cc1N
InChIInChI=1S/C11H19N5O/c1-15-5-3-4-8(15)6-13-11(17)10-9(12)7-16(2)14-10/h7-8H,3-6,12H2,1-2H3,(H,13,17)
InChIKeyDDVKBEDTXWSTEV-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.17
Rot. Bonds3

About 4-amino-1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-3-carboxamide

4-amino-1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 106021956) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-amino-1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-3-carboxamide
PubChem CID106021956
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name4-amino-1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-3-carboxamide
SMILESCN1CCCC1CNC(=O)c1nn(C)cc1N
InChIInChI=1S/C11H19N5O/c1-15-5-3-4-8(15)6-13-11(17)10-9(12)7-16(2)14-10/h7-8H,3-6,12H2,1-2H3,(H,13,17)
InChIKeyDDVKBEDTXWSTEV-UHFFFAOYSA-N
XLogP-0.17
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrazole-3-carboxamide
CID 106119084
3-amino-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide
CID 113447691
4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-methylpyrazole-3-carboxamide
CID 65354922
4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 110473663
3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 106026096
2-amino-3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 114137909
(4-amino-1-methylpyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633791
4-amino-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 62083205
2-amino-5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 114138586
4-amino-1-methyl-N-(morpholin-2-ylmethyl)pyrazole-3-carboxamide
CID 122445315
4-amino-N-(3,5-dimethylcyclohexyl)-1-methylpyrazole-3-carboxamide
CID 65355546
4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 103872767

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-3-carboxamide (CID 106021956) is 4-amino-1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-3-carboxamide is CN1CCCC1CNC(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is DDVKBEDTXWSTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-15-5-3-4-8(15)6-13-11(17)10-9(12)7-16(2)14-10/h7-8H,3-6,12H2,1-2H3,(H,13,17).
What are the key properties of 4-amino-1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-3-carboxamide?
4-amino-1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 237.31 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 106021956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).