N-[[3-ethyl-1-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)ethanamine

C25H35N5O — CID 42690492

IUPACN-[[3-ethyl-1-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)ethanamine
SMILESCCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(CC)Cc1ccco1
InChIInChI=1S/C25H35N5O/c1-5-24-23(19-28(6-2)18-22-11-8-16-31-22)25(29-14-12-27(4)13-15-29)30(26-24)21-10-7-9-20(3)17-21/h7-11,16-17H,5-6,12-15,18-19H2,1-4H3
InChIKeyYNBBBZPZULMCBM-UHFFFAOYSA-N
MW421.59 g/mol
LogP4.11
Rot. Bonds8

About N-[[3-ethyl-1-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)ethanamine

N-[[3-ethyl-1-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)ethanamine (PubChem CID 42690492) has the molecular formula C25H35N5O and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[[3-ethyl-1-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[3-ethyl-1-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)ethanamine
PubChem CID42690492
Molecular FormulaC25H35N5O
Molecular Weight421.59 g/mol
Exact Mass421.28
IUPAC NameN-[[3-ethyl-1-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)ethanamine
SMILESCCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(CC)Cc1ccco1
InChIInChI=1S/C25H35N5O/c1-5-24-23(19-28(6-2)18-22-11-8-16-31-22)25(29-14-12-27(4)13-15-29)30(26-24)21-10-7-9-20(3)17-21/h7-11,16-17H,5-6,12-15,18-19H2,1-4H3
InChIKeyYNBBBZPZULMCBM-UHFFFAOYSA-N
XLogP4.11
TPSA40.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Propan-2-yl 4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazine-1-carboxylate
CID 23570367
Tert-butyl 4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazine-1-carboxylate
CID 23570387
Butyl 4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazine-1-carboxylate
CID 44387827
2-(Furan-2-yl)-7-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10126162
2-(Furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10151957
1-[3-[5-Amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-one
CID 23570252
7-[3-[4-(2,2-Dimethylpropylamino)piperidin-1-yl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 23570338
N-(2-furylmethyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 807565
N-Furan-2-ylmethyl-2-(4-oxo-1-p-tolyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetamide
CID 646968
Furan-2-ylmethyl-(5-methyl-2-p-tolyl-pyrazolo[1,5-a]pyrimidin-7-yl)-amine
CID 653674
2-Furan-2-yl-7-{3-[(methyl-phenethyl-amino)-methyl]-phenyl}-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 44387791
N-(2-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyrazol-1-yl)benzylamino)-2-oxoethyl)furan-2-carboxamide
CID 49862398

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethyl-1-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of N-[[3-ethyl-1-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)ethanamine (CID 42690492) is N-[[3-ethyl-1-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[[3-ethyl-1-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for N-[[3-ethyl-1-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)ethanamine is CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(CC)Cc1ccco1.
What is the InChIKey of N-[[3-ethyl-1-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is YNBBBZPZULMCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O/c1-5-24-23(19-28(6-2)18-22-11-8-16-31-22)25(29-14-12-27(4)13-15-29)30(26-24)21-10-7-9-20(3)17-21/h7-11,16-17H,5-6,12-15,18-19H2,1-4H3.
What are the key properties of N-[[3-ethyl-1-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)ethanamine?
N-[[3-ethyl-1-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)ethanamine has a molecular weight of 421.59 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethyl-1-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 42690492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).