[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methanamine

C11H17N5 — CID 103015784

IUPAC[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methanamine
SMILESCc1ncc(CN)n1CCc1cnn(C)c1
InChIInChI=1S/C11H17N5/c1-9-13-7-11(5-12)16(9)4-3-10-6-14-15(2)8-10/h6-8H,3-5,12H2,1-2H3
InChIKeyRKOZPCWNQUCCQD-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.63
Rot. Bonds4

About [2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methanamine

[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methanamine (PubChem CID 103015784) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is [2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methanamine
PubChem CID103015784
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methanamine
SMILESCc1ncc(CN)n1CCc1cnn(C)c1
InChIInChI=1S/C11H17N5/c1-9-13-7-11(5-12)16(9)4-3-10-6-14-15(2)8-10/h6-8H,3-5,12H2,1-2H3
InChIKeyRKOZPCWNQUCCQD-UHFFFAOYSA-N
XLogP0.63
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 103015799
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
4-(chloromethyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole
CID 106720678
6-chloro-2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-one
CID 103013456
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
1-methyl-4-propylpyrazole;propane
CID 155742221
4-(2-bromoethyl)-1-methylpyrazole
CID 54593836
7-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 80692279
[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine
CID 103015702
5-amino-1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione
CID 103002422
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-amine
CID 103015435
1-methyl-4-[(2-methylimidazol-1-yl)methyl]pyrazole
CID 62403698

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methanamine?
The IUPAC name of [2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methanamine (CID 103015784) is [2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methanamine?
The canonical SMILES for [2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methanamine is Cc1ncc(CN)n1CCc1cnn(C)c1.
What is the InChIKey of [2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methanamine?
The InChIKey is RKOZPCWNQUCCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-9-13-7-11(5-12)16(9)4-3-10-6-14-15(2)8-10/h6-8H,3-5,12H2,1-2H3.
What are the key properties of [2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methanamine?
[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methanamine has a molecular weight of 219.29 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 103015784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).