N-[(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine

C12H18ClN5 — CID 114659313

IUPACN-[(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccn1C)c1c(Cl)cnn1C
InChIInChI=1S/C12H18ClN5/c1-4-5-14-10(12-15-6-7-17(12)2)11-9(13)8-16-18(11)3/h6-8,10,14H,4-5H2,1-3H3
InChIKeyZLNYJMOGFHNICB-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.90
Rot. Bonds5

About N-[(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine

N-[(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 114659313) has the molecular formula C12H18ClN5 and a molecular weight of 267.76 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
PubChem CID114659313
Molecular FormulaC12H18ClN5
Molecular Weight267.76 g/mol
Exact Mass267.13
IUPAC NameN-[(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccn1C)c1c(Cl)cnn1C
InChIInChI=1S/C12H18ClN5/c1-4-5-14-10(12-15-6-7-17(12)2)11-9(13)8-16-18(11)3/h6-8,10,14H,4-5H2,1-3H3
InChIKeyZLNYJMOGFHNICB-UHFFFAOYSA-N
XLogP1.90
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 114647242
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 114659314
N-[(4-chloro-1-methylpyrazol-5-yl)-(2-chlorophenyl)methyl]propan-1-amine
CID 114649321
N-[(4-chloro-1-methylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114651569
N-[(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 114659883
2-[4-chloro-5-[ethylamino-(1-methylimidazol-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114659302
N-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 61316520
1-(4-chloro-1-methylpyrazol-5-yl)-N-propylpropan-1-amine
CID 114647778
N-[(2-chlorofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 106693217
N-[(5-chloro-2-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105046381
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
1-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylbutan-1-amine
CID 114647517

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine (CID 114659313) is N-[(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine is CCCNC(c1nccn1C)c1c(Cl)cnn1C.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is ZLNYJMOGFHNICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5/c1-4-5-14-10(12-15-6-7-17(12)2)11-9(13)8-16-18(11)3/h6-8,10,14H,4-5H2,1-3H3.
What are the key properties of N-[(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine?
N-[(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 267.76 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114659313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).