1-(1,5-dimethylpyrazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine

C11H17N5 — CID 19625587

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESCc1c(C(C)NCc2ccn[nH]2)cnn1C
InChIInChI=1S/C11H17N5/c1-8(11-7-14-16(3)9(11)2)12-6-10-4-5-13-15-10/h4-5,7-8,12H,6H2,1-3H3,(H,13,15)
InChIKeyHCKWWEIHOREXOU-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.30
Rot. Bonds4

About 1-(1,5-dimethylpyrazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine

1-(1,5-dimethylpyrazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine (PubChem CID 19625587) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
PubChem CID19625587
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESCc1c(C(C)NCc2ccn[nH]2)cnn1C
InChIInChI=1S/C11H17N5/c1-8(11-7-14-16(3)9(11)2)12-6-10-4-5-13-15-10/h4-5,7-8,12H,6H2,1-3H3,(H,13,15)
InChIKeyHCKWWEIHOREXOU-UHFFFAOYSA-N
XLogP1.30
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(pyridin-2-ylmethyl)ethanamine
CID 19626634
2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol
CID 19627463
1-(1,5-dimethylpyrazol-4-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708616
1-(1,5-dimethylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62762184
5-methyl-2-[1-(1H-pyrazol-5-ylmethylamino)ethyl]phenol
CID 61285275
1-(1,5-dimethylpyrazol-4-yl)-N-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 19627759
1-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxyethyl)ethanamine
CID 115970494
1-(1,5-dimethylpyrazol-4-yl)-N-[(3-iodophenyl)methyl]ethanamine
CID 114282803
N-[(2,5-difluorophenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 19624853
4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]benzoic acid
CID 65347777
1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 94031495

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine (CID 19625587) is 1-(1,5-dimethylpyrazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine is Cc1c(C(C)NCc2ccn[nH]2)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The InChIKey is HCKWWEIHOREXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-8(11-7-14-16(3)9(11)2)12-6-10-4-5-13-15-10/h4-5,7-8,12H,6H2,1-3H3,(H,13,15).
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
1-(1,5-dimethylpyrazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine has a molecular weight of 219.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 19625587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).