(2S)-N-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide

C19H25N5O2 — CID 125018642

IUPAC(2S)-N-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2cn[nH]c2C)CCN1CCc1ccccc1
InChIInChI=1S/C19H25N5O2/c1-14-16(12-21-22-14)19(26)24-11-10-23(17(13-24)18(25)20-2)9-8-15-6-4-3-5-7-15/h3-7,12,17H,8-11,13H2,1-2H3,(H,20,25)(H,21,22)/t17-/m0/s1
InChIKeyXQHCRUBHZOUNDU-KRWDZBQOSA-N
MW355.44 g/mol
LogP0.83
Rot. Bonds5

About (2S)-N-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide

(2S)-N-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide (PubChem CID 125018642) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (2S)-N-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
PubChem CID125018642
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(2S)-N-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2cn[nH]c2C)CCN1CCc1ccccc1
InChIInChI=1S/C19H25N5O2/c1-14-16(12-21-22-14)19(26)24-11-10-23(17(13-24)18(25)20-2)9-8-15-6-4-3-5-7-15/h3-7,12,17H,8-11,13H2,1-2H3,(H,20,25)(H,21,22)/t17-/m0/s1
InChIKeyXQHCRUBHZOUNDU-KRWDZBQOSA-N
XLogP0.83
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-methyl-4-(4-methylpyrimidine-5-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 125025072
(2S)-1-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazine-2-carboxamide
CID 95811288
(2S)-N-methyl-1-(2-phenylethyl)-4-(pyridine-2-carbonyl)piperazine-2-carboxamide
CID 124984883
4-[2-(methanesulfonamido)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110086102
(2R)-4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124940245
4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110086321
4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110085990
1-benzyl-N-methyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide
CID 110086182
N-[3-(2-chlorophenyl)propyl]-1-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazine-2-carboxamide
CID 175658266
[(4aR,7aR)-4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 97066356
(6R)-1-(5-methyl-1H-pyrazole-4-carbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one
CID 92586977
(5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 42290294

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide (CID 125018642) is (2S)-N-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide is CNC(=O)[C@@H]1CN(C(=O)c2cn[nH]c2C)CCN1CCc1ccccc1.
What is the InChIKey of (2S)-N-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide?
The InChIKey is XQHCRUBHZOUNDU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-16(12-21-22-14)19(26)24-11-10-23(17(13-24)18(25)20-2)9-8-15-6-4-3-5-7-15/h3-7,12,17H,8-11,13H2,1-2H3,(H,20,25)(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-N-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide?
(2S)-N-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 125018642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).