N-[[5-(4-benzylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine

C19H29N5 — CID 113222994

IUPACN-[[5-(4-benzylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H29N5/c1-4-20-14-18-16(2)21-22(3)19(18)24-12-10-23(11-13-24)15-17-8-6-5-7-9-17/h5-9,20H,4,10-15H2,1-3H3
InChIKeyRODLLUDKCQVXJO-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.16
Rot. Bonds6

About N-[[5-(4-benzylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine

N-[[5-(4-benzylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine (PubChem CID 113222994) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is N-[[5-(4-benzylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-benzylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
PubChem CID113222994
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC NameN-[[5-(4-benzylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H29N5/c1-4-20-14-18-16(2)21-22(3)19(18)24-12-10-23(11-13-24)15-17-8-6-5-7-9-17/h5-9,20H,4,10-15H2,1-3H3
InChIKeyRODLLUDKCQVXJO-UHFFFAOYSA-N
XLogP2.16
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 43581790
N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]ethanamine
CID 43280293
N-[[5-(4-ethyl-3-methylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 63634287
N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 174676265
N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 104959482
3-(4-benzylpiperazin-1-yl)-4-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]cyclobut-3-ene-1,2-dione
CID 53367643
[1-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]methanol
CID 112626629
N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine
CID 43283185
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 39301978
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36845381
N,N,1,3-tetramethyl-4-[[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine
CID 51104874
N-[[5-(2,2-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 63217623

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-benzylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(4-benzylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine (CID 113222994) is N-[[5-(4-benzylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4-benzylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4-benzylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine is CCNCc1c(C)nn(C)c1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[[5-(4-benzylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
The InChIKey is RODLLUDKCQVXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-4-20-14-18-16(2)21-22(3)19(18)24-12-10-23(11-13-24)15-17-8-6-5-7-9-17/h5-9,20H,4,10-15H2,1-3H3.
What are the key properties of N-[[5-(4-benzylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
N-[[5-(4-benzylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine has a molecular weight of 327.48 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-benzylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 113222994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).