4-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide

C17H23N5O2 — CID 119074163

IUPAC4-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)NCc2cnn(C)c2)CC1
InChIInChI=1S/C17H23N5O2/c1-20-13-14(12-19-20)11-18-17(23)22-9-7-21(8-10-22)15-5-3-4-6-16(15)24-2/h3-6,12-13H,7-11H2,1-2H3,(H,18,23)
InChIKeyRDTSRSANQRHCIC-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.46
Rot. Bonds4

About 4-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide

4-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide (PubChem CID 119074163) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide
PubChem CID119074163
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)NCc2cnn(C)c2)CC1
InChIInChI=1S/C17H23N5O2/c1-20-13-14(12-19-20)11-18-17(23)22-9-7-21(8-10-22)15-5-3-4-6-16(15)24-2/h3-6,12-13H,7-11H2,1-2H3,(H,18,23)
InChIKeyRDTSRSANQRHCIC-UHFFFAOYSA-N
XLogP1.46
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 108898943
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
N-[(1-methylpyrazol-4-yl)methyl]azepane-1-carboxamide
CID 115590808
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
4-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 146122949
(9aR)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 126438626
4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 39722655
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 38153261
4-(2-methoxyphenyl)-N-(1-methylindol-3-yl)piperazine-1-carboxamide
CID 16803740
4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887102
4-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 51274227
N-[(6-chloro-3-pyridinyl)methyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 60543780

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide (CID 119074163) is 4-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide is COc1ccccc1N1CCN(C(=O)NCc2cnn(C)c2)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide?
The InChIKey is RDTSRSANQRHCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-20-13-14(12-19-20)11-18-17(23)22-9-7-21(8-10-22)15-5-3-4-6-16(15)24-2/h3-6,12-13H,7-11H2,1-2H3,(H,18,23).
What are the key properties of 4-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide?
4-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 119074163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).