1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine

C11H17N5 — CID 61283897

IUPAC1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)c(C)c1CNCc1ccn[nH]1
InChIInChI=1S/C11H17N5/c1-8-11(9(2)16(3)15-8)7-12-6-10-4-5-13-14-10/h4-5,12H,6-7H2,1-3H3,(H,13,14)
InChIKeyNKDACNWEQJCUOP-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.05
Rot. Bonds4

About 1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine

1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine (PubChem CID 61283897) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
PubChem CID61283897
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)c(C)c1CNCc1ccn[nH]1
InChIInChI=1S/C11H17N5/c1-8-11(9(2)16(3)15-8)7-12-6-10-4-5-13-14-10/h4-5,12H,6-7H2,1-3H3,(H,13,14)
InChIKeyNKDACNWEQJCUOP-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(E)-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 6889397
(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)[1-methyl-3-(1H-pyrazol-1-yl)propyl]amine
CID 50982298
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 72043819
1-ethyl-3,5-dimethyl-4-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 118739821
3-{1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1H-1,2,3-triazol-4-yl}piperidine
CID 72893752
[(3,5-dimethyl-1H-pyrazol-4-yl)methyl][(1-ethyl-3-methyl-1H-pyrazol-5-yl)methyl]methylamine trifluoroacetate
CID 28313087
(1S)-N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 28871074
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43749413
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]propan-1-amine
CID 52387528
2-[3,5-Dimethyl-4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 53522529
3-pyrazol-1-yl-N-(1H-pyrazol-5-ylmethyl)butan-2-amine
CID 53557312
2-[3,5-Dimethyl-4-[(2-pyrazol-1-ylethylamino)methyl]pyrazol-1-yl]ethanol
CID 72047570

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine (CID 61283897) is 1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine is Cc1nn(C)c(C)c1CNCc1ccn[nH]1.
What is the InChIKey of 1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is NKDACNWEQJCUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-8-11(9(2)16(3)15-8)7-12-6-10-4-5-13-14-10/h4-5,12H,6-7H2,1-3H3,(H,13,14).
What are the key properties of 1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine has a molecular weight of 219.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 61283897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).