N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine

C13H21N5 — CID 106719484

IUPACN-[[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCc2cnn(C)c2)cn1
InChIInChI=1S/C13H21N5/c1-11(2)14-7-13-9-18(10-15-13)5-4-12-6-16-17(3)8-12/h6,8-11,14H,4-5,7H2,1-3H3
InChIKeyBDJIVUIEKBPUNA-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.36
Rot. Bonds6

About N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine

N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine (PubChem CID 106719484) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
PubChem CID106719484
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-[[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCc2cnn(C)c2)cn1
InChIInChI=1S/C13H21N5/c1-11(2)14-7-13-9-18(10-15-13)5-4-12-6-16-17(3)8-12/h6,8-11,14H,4-5,7H2,1-3H3
InChIKeyBDJIVUIEKBPUNA-UHFFFAOYSA-N
XLogP1.36
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719500
4-(chloromethyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole
CID 106720678
N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719321
N-[[3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 80686896
N-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 114204770
N-[[1-(2-tert-butylsulfanylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 114271401
N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719368
N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719477
1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-4-carbaldehyde
CID 106716759
N-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719505
4-[[4-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenol
CID 106719587
N-[3-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]propyl]acetamide
CID 155582672

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine (CID 106719484) is N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(CCc2cnn(C)c2)cn1.
What is the InChIKey of N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is BDJIVUIEKBPUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-11(2)14-7-13-9-18(10-15-13)5-4-12-6-16-17(3)8-12/h6,8-11,14H,4-5,7H2,1-3H3.
What are the key properties of N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine?
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 247.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 106719484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).