1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-ylpyrazol-4-amine

C12H19N5 — CID 114262678

IUPAC1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-ylpyrazol-4-amine
SMILESCc1[nH]cnc1CNc1cn(C)nc1C(C)C
InChIInChI=1S/C12H19N5/c1-8(2)12-11(6-17(4)16-12)13-5-10-9(3)14-7-15-10/h6-8,13H,5H2,1-4H3,(H,14,15)
InChIKeyKHYMAHWSXHZPSG-UHFFFAOYSA-N
MW233.32 g/mol
LogP2.19
Rot. Bonds4

About 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-ylpyrazol-4-amine

1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-ylpyrazol-4-amine (PubChem CID 114262678) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-ylpyrazol-4-amine
PubChem CID114262678
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-ylpyrazol-4-amine
SMILESCc1[nH]cnc1CNc1cn(C)nc1C(C)C
InChIInChI=1S/C12H19N5/c1-8(2)12-11(6-17(4)16-12)13-5-10-9(3)14-7-15-10/h6-8,13H,5H2,1-4H3,(H,14,15)
InChIKeyKHYMAHWSXHZPSG-UHFFFAOYSA-N
XLogP2.19
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazol-4-amine
CID 114094591
N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine
CID 46784144
2,3-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 62741383
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline
CID 55114545
6-bromo-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 62749058
3-chloro-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 62747617
ethyl 2-amino-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)amino]propanoate
CID 114281397
3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904405
2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)propane-1,2-diamine
CID 130500065
2-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]sulfanylacetamide
CID 62747638
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine
CID 114094606
N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 55114541

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-ylpyrazol-4-amine?
The IUPAC name of 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-ylpyrazol-4-amine (CID 114262678) is 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-ylpyrazol-4-amine is Cc1[nH]cnc1CNc1cn(C)nc1C(C)C.
What is the InChIKey of 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-ylpyrazol-4-amine?
The InChIKey is KHYMAHWSXHZPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-8(2)12-11(6-17(4)16-12)13-5-10-9(3)14-7-15-10/h6-8,13H,5H2,1-4H3,(H,14,15).
What are the key properties of 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-ylpyrazol-4-amine?
1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-ylpyrazol-4-amine has a molecular weight of 233.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 114262678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).