N-methyl-N-[1-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide

C19H25N5O2 — CID 135375658

IUPACN-methyl-N-[1-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCN(Cc3ccccc3C)CC2)c1
InChIInChI=1S/C19H25N5O2/c1-15-6-4-5-7-17(15)13-22-8-10-23(11-9-22)19(26)24-14-18(12-20-24)21(3)16(2)25/h4-7,12,14H,8-11,13H2,1-3H3
InChIKeyPUAXFEDYADYKEZ-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.96
Rot. Bonds3

About N-methyl-N-[1-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide

N-methyl-N-[1-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide (PubChem CID 135375658) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-methyl-N-[1-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide
PubChem CID135375658
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-methyl-N-[1-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCN(Cc3ccccc3C)CC2)c1
InChIInChI=1S/C19H25N5O2/c1-15-6-4-5-7-17(15)13-22-8-10-23(11-9-22)19(26)24-14-18(12-20-24)21(3)16(2)25/h4-7,12,14H,8-11,13H2,1-3H3
InChIKeyPUAXFEDYADYKEZ-UHFFFAOYSA-N
XLogP1.96
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Benzylpiperazin-1-yl)-pyrazol-1-ylmethanone
CID 118526402
(4-Benzylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone
CID 118526594
(4-Methylpyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 118526739
[4-(Naphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone
CID 118526755
1-(4-Benzylpiperazine-1-carbonyl)pyrazole-4-carbonitrile
CID 118526834
(4-Methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone
CID 118526861
[4-[(4-Phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone
CID 118531126
1-[3-[Methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 24790635
N-[2-[3-(2-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155527416
N-[6-[(1-methylpyrazol-4-yl)amino]-6-oxohexyl]-1,3-dihydroisoindole-2-carboxamide
CID 57509980
N-[1-(3-methylbutyl)pyrazol-4-yl]-1,3-dihydroisoindole-2-carboxamide
CID 57510168
US10323038, Example 64
CID 135375499

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide?
The IUPAC name of N-methyl-N-[1-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide (CID 135375658) is N-methyl-N-[1-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for N-methyl-N-[1-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide?
The canonical SMILES for N-methyl-N-[1-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide is CC(=O)N(C)c1cnn(C(=O)N2CCN(Cc3ccccc3C)CC2)c1.
What is the InChIKey of N-methyl-N-[1-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide?
The InChIKey is PUAXFEDYADYKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-15-6-4-5-7-17(15)13-22-8-10-23(11-9-22)19(26)24-14-18(12-20-24)21(3)16(2)25/h4-7,12,14H,8-11,13H2,1-3H3.
What are the key properties of N-methyl-N-[1-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide?
N-methyl-N-[1-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 135375658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).