4-(4-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide

C18H25N5O2 — CID 95126839

IUPAC4-(4-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)N[C@H](C)Cn3cccn3)CC2)cc1
InChIInChI=1S/C18H25N5O2/c1-15(14-23-9-3-8-19-23)20-18(24)22-12-10-21(11-13-22)16-4-6-17(25-2)7-5-16/h3-9,15H,10-14H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyKNVFMKPVPBLGQT-OAHLLOKOSA-N
MW343.43 g/mol
LogP1.81
Rot. Bonds5

About 4-(4-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide

4-(4-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide (PubChem CID 95126839) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide
PubChem CID95126839
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name4-(4-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)N[C@H](C)Cn3cccn3)CC2)cc1
InChIInChI=1S/C18H25N5O2/c1-15(14-23-9-3-8-19-23)20-18(24)22-12-10-21(11-13-22)16-4-6-17(25-2)7-5-16/h3-9,15H,10-14H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyKNVFMKPVPBLGQT-OAHLLOKOSA-N
XLogP1.81
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-pyrazol-1-ylpropan-2-yl]azetidine-1-carboxamide
CID 94031085
(2S)-2-(4-methoxyphenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide
CID 94102282
N-(1-pyrazol-1-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 51084477
N-[4-(4-hydroxyphenyl)butan-2-yl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 55589558
4-methylsulfonyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide
CID 94102189
4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 108988796
N-butan-2-yl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113104357
N-butan-2-yl-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108941820
N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 53370060
N-butan-2-yl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109094649
3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115583842
(2S)-2-(3-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide
CID 94031022

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide (CID 95126839) is 4-(4-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)N[C@H](C)Cn3cccn3)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide?
The InChIKey is KNVFMKPVPBLGQT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-15(14-23-9-3-8-19-23)20-18(24)22-12-10-21(11-13-22)16-4-6-17(25-2)7-5-16/h3-9,15H,10-14H2,1-2H3,(H,20,24)/t15-/m1/s1.
What are the key properties of 4-(4-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide?
4-(4-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 95126839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).