N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-4-carboxamide

C11H19N5O — CID 63897139

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCN1CCN(C)C(CNC(=O)c2cn[nH]c2)C1
InChIInChI=1S/C11H19N5O/c1-15-3-4-16(2)10(8-15)7-12-11(17)9-5-13-14-6-9/h5-6,10H,3-4,7-8H2,1-2H3,(H,12,17)(H,13,14)
InChIKeyBOPWVUGUXNBQPE-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.61
Rot. Bonds3

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-4-carboxamide

N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 63897139) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID63897139
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCN1CCN(C)C(CNC(=O)c2cn[nH]c2)C1
InChIInChI=1S/C11H19N5O/c1-15-3-4-16(2)10(8-15)7-12-11(17)9-5-13-14-6-9/h5-6,10H,3-4,7-8H2,1-2H3,(H,12,17)(H,13,14)
InChIKeyBOPWVUGUXNBQPE-UHFFFAOYSA-N
XLogP-0.61
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63884571
N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
CID 6734414
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoropyridine-4-carboxamide
CID 63896737
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103957035
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide
CID 104782948
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(4-propylphenyl)benzamide
CID 121499620
3-carbamothioyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63897121
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide;trihydrochloride
CID 119903262
N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[2-(hydroxymethyl)phenyl]benzamide
CID 126449025
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide
CID 63898434
3-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]thiophene-2-carboxamide
CID 129486680
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-hydroxy-2-methylbenzamide
CID 82829349

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-4-carboxamide (CID 63897139) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-4-carboxamide is CN1CCN(C)C(CNC(=O)c2cn[nH]c2)C1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is BOPWVUGUXNBQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-15-3-4-16(2)10(8-15)7-12-11(17)9-5-13-14-6-9/h5-6,10H,3-4,7-8H2,1-2H3,(H,12,17)(H,13,14).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-4-carboxamide?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 237.31 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63897139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).