N-[[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine

C12H19N5 — CID 66149938

IUPACN-[[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncn1Cc1ccnn1C
InChIInChI=1S/C12H19N5/c1-10(2)14-7-12-6-13-9-17(12)8-11-4-5-15-16(11)3/h4-6,9-10,14H,7-8H2,1-3H3
InChIKeyXBSAJNXWSSLZCU-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.16
Rot. Bonds5

About N-[[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine

N-[[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine (PubChem CID 66149938) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-[[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
PubChem CID66149938
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-[[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncn1Cc1ccnn1C
InChIInChI=1S/C12H19N5/c1-10(2)14-7-12-6-13-9-17(12)8-11-4-5-15-16(11)3/h4-6,9-10,14H,7-8H2,1-3H3
InChIKeyXBSAJNXWSSLZCU-UHFFFAOYSA-N
XLogP1.16
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(chloromethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazole
CID 66150644
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
N-[[3-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66149748
N-[[3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66150573
N-[[3-[(2-bromophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66147990
N-[[3-(naphthalen-1-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66151382
N-[[3-(2-piperidin-1-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66152169
N-[[3-[(5-methylpyrazin-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66149306
N-[[3-[(2-methoxy-4-pyridinyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66151600
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146724
N-[[3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 80686896
N-[[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 106106680

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine (CID 66149938) is N-[[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cncn1Cc1ccnn1C.
What is the InChIKey of N-[[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is XBSAJNXWSSLZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-10(2)14-7-12-6-13-9-17(12)8-11-4-5-15-16(11)3/h4-6,9-10,14H,7-8H2,1-3H3.
What are the key properties of N-[[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
N-[[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 233.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66149938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).