N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C21H25N7O — CID 97202541

IUPACN-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESC[C@H](NC(=O)CN1CCN(c2ncccn2)CC1)c1ccccc1-n1cccn1
InChIInChI=1S/C21H25N7O/c1-17(18-6-2-3-7-19(18)28-11-5-10-24-28)25-20(29)16-26-12-14-27(15-13-26)21-22-8-4-9-23-21/h2-11,17H,12-16H2,1H3,(H,25,29)/t17-/m0/s1
InChIKeyKKCHECBVSXFCFK-KRWDZBQOSA-N
MW391.48 g/mol
LogP1.66
Rot. Bonds6

About N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 97202541) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID97202541
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC NameN-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESC[C@H](NC(=O)CN1CCN(c2ncccn2)CC1)c1ccccc1-n1cccn1
InChIInChI=1S/C21H25N7O/c1-17(18-6-2-3-7-19(18)28-11-5-10-24-28)25-20(29)16-26-12-14-27(15-13-26)21-22-8-4-9-23-21/h2-11,17H,12-16H2,1H3,(H,25,29)/t17-/m0/s1
InChIKeyKKCHECBVSXFCFK-KRWDZBQOSA-N
XLogP1.66
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 4779861
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595828
oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 651293
N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide
CID 97085171
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide
CID 91837818
3-(oxazinan-2-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide
CID 46993873
N-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24588722
2-methyl-3-oxo-3-[1-(2-pyrazol-1-ylphenyl)ethylamino]propanoic acid
CID 122065751
N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 17470308
N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8725812
3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide
CID 166302824
1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120550077

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 97202541) is N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is C[C@H](NC(=O)CN1CCN(c2ncccn2)CC1)c1ccccc1-n1cccn1.
What is the InChIKey of N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is KKCHECBVSXFCFK-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H25N7O/c1-17(18-6-2-3-7-19(18)28-11-5-10-24-28)25-20(29)16-26-12-14-27(15-13-26)21-22-8-4-9-23-21/h2-11,17H,12-16H2,1H3,(H,25,29)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 391.48 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 97202541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).