N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)propan-2-amine

C27H38N6 — CID 42878167

IUPACN-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)propan-2-amine
SMILESCCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1CN(Cc1ccccn1)C(C)C
InChIInChI=1S/C27H38N6/c1-5-26-25(21-32(22(3)4)20-23-12-10-11-15-28-23)27(31-18-16-30(6-2)17-19-31)33(29-26)24-13-8-7-9-14-24/h7-15,22H,5-6,16-21H2,1-4H3
InChIKeyPXZBDLAIMZVZTG-UHFFFAOYSA-N
MW446.64 g/mol
LogP4.38
Rot. Bonds9

About N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)propan-2-amine

N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)propan-2-amine (PubChem CID 42878167) has the molecular formula C27H38N6 and a molecular weight of 446.64 g/mol. Its IUPAC name is N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)propan-2-amine
PubChem CID42878167
Molecular FormulaC27H38N6
Molecular Weight446.64 g/mol
Exact Mass446.32
IUPAC NameN-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)propan-2-amine
SMILESCCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1CN(Cc1ccccn1)C(C)C
InChIInChI=1S/C27H38N6/c1-5-26-25(21-32(22(3)4)20-23-12-10-11-15-28-23)27(31-18-16-30(6-2)17-19-31)33(29-26)24-13-8-7-9-14-24/h7-15,22H,5-6,16-21H2,1-4H3
InChIKeyPXZBDLAIMZVZTG-UHFFFAOYSA-N
XLogP4.38
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.64
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)ethanamine
CID 42878090
N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 42878063
N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-propylpyrazol-4-yl]methyl]-N-(furan-3-ylmethyl)propan-2-amine
CID 42690454
N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(3-phenylpropyl)cyclopropanamine
CID 42690550
4-[[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl-propylamino]methyl]benzene-1,2-diol
CID 42878180
N-[(3-chlorophenyl)methyl]-N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]cyclopropanamine
CID 42690554
N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]propan-2-amine
CID 24716253
2-[[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]methyl]-6-methylphenol
CID 42878188
N-[(3-ethoxyphenyl)methyl]-N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]propan-1-amine
CID 42690545
N-[(2-chlorophenyl)methyl]-N-[[5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]propan-2-amine
CID 42690401
N-[(2S)-butan-2-yl]-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-methylbutanamide
CID 93009234
N-butan-2-yl-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]butanamide
CID 46080531

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)propan-2-amine (CID 42878167) is N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)propan-2-amine is CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1CN(Cc1ccccn1)C(C)C.
What is the InChIKey of N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)propan-2-amine?
The InChIKey is PXZBDLAIMZVZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6/c1-5-26-25(21-32(22(3)4)20-23-12-10-11-15-28-23)27(31-18-16-30(6-2)17-19-31)33(29-26)24-13-8-7-9-14-24/h7-15,22H,5-6,16-21H2,1-4H3.
What are the key properties of N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)propan-2-amine?
N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)propan-2-amine has a molecular weight of 446.64 g/mol, XLogP of 4.38, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 42878167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).