1-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethanamine

C13H18N4 — CID 19626634

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCc1c(C(C)NCc2ccccn2)cnn1C
InChIInChI=1S/C13H18N4/c1-10(13-9-16-17(3)11(13)2)15-8-12-6-4-5-7-14-12/h4-7,9-10,15H,8H2,1-3H3
InChIKeyBUDXCSZECMASBZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.97
Rot. Bonds4

About 1-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethanamine

1-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 19626634) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID19626634
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCc1c(C(C)NCc2ccccn2)cnn1C
InChIInChI=1S/C13H18N4/c1-10(13-9-16-17(3)11(13)2)15-8-12-6-4-5-7-14-12/h4-7,9-10,15H,8H2,1-3H3
InChIKeyBUDXCSZECMASBZ-UHFFFAOYSA-N
XLogP1.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62762184
1-(1,5-dimethylpyrazol-4-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708616
(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 94962214
2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol
CID 19627463
1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 45215486
1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43201499
1-(1,5-dimethylpyrazol-4-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235283
1-(1,5-dimethylpyrazol-4-yl)-N-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]ethanamine
CID 166289890
1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 43435895
N-[(2-cyclopropylphenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 79889125
2-[2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenoxy]ethanol
CID 110010841
5-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43751830

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethanamine (CID 19626634) is 1-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethanamine is Cc1c(C(C)NCc2ccccn2)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is BUDXCSZECMASBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10(13-9-16-17(3)11(13)2)15-8-12-6-4-5-7-14-12/h4-7,9-10,15H,8H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethanamine?
1-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 230.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 19626634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).