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

C12H17N5 — CID 62762184

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)ethanamine
SMILESCc1c(C(C)NCc2cnccn2)cnn1C
InChIInChI=1S/C12H17N5/c1-9(12-8-16-17(3)10(12)2)15-7-11-6-13-4-5-14-11/h4-6,8-9,15H,7H2,1-3H3
InChIKeyDYDUDOVZEVDLDM-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.37
Rot. Bonds4

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

1-(1,5-dimethylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)ethanamine (PubChem CID 62762184) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)ethanamine
PubChem CID62762184
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)ethanamine
SMILESCc1c(C(C)NCc2cnccn2)cnn1C
InChIInChI=1S/C12H17N5/c1-9(12-8-16-17(3)10(12)2)15-7-11-6-13-4-5-14-11/h4-6,8-9,15H,7H2,1-3H3
InChIKeyDYDUDOVZEVDLDM-UHFFFAOYSA-N
XLogP1.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 19626634
1-(1,5-dimethylpyrazol-4-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708616
1-(1,5-dimethylpyrazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 19625587
1-(1,5-dimethylpyrazol-4-yl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956669
(1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81377262
2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol
CID 19627463
1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62763603
1-(1,5-dimethylpyrazol-4-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43751995
1-(1,5-dimethylpyrazol-4-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235283
5-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43751830
1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 23005795
3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-1-ol
CID 115970555

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)ethanamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)ethanamine (CID 62762184) is 1-(1,5-dimethylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)ethanamine is Cc1c(C(C)NCc2cnccn2)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)ethanamine?
The InChIKey is DYDUDOVZEVDLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9(12-8-16-17(3)10(12)2)15-7-11-6-13-4-5-14-11/h4-6,8-9,15H,7H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)ethanamine?
1-(1,5-dimethylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)ethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)ethanamine is sourced from PubChem (CID 62762184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).