2-[4-chloro-5-[ethylamino-(1-methylimidazol-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

C14H23ClN6 — CID 114659302

IUPAC2-[4-chloro-5-[ethylamino-(1-methylimidazol-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCNC(c1nccn1C)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C14H23ClN6/c1-5-16-12(14-17-6-7-20(14)4)13-11(15)10-18-21(13)9-8-19(2)3/h6-7,10,12,16H,5,8-9H2,1-4H3
InChIKeyAWCBWHKSBKAVBL-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.53
Rot. Bonds7

About 2-[4-chloro-5-[ethylamino-(1-methylimidazol-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-chloro-5-[ethylamino-(1-methylimidazol-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 114659302) has the molecular formula C14H23ClN6 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-[4-chloro-5-[ethylamino-(1-methylimidazol-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-chloro-5-[ethylamino-(1-methylimidazol-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID114659302
Molecular FormulaC14H23ClN6
Molecular Weight310.83 g/mol
Exact Mass310.17
IUPAC Name2-[4-chloro-5-[ethylamino-(1-methylimidazol-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCNC(c1nccn1C)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C14H23ClN6/c1-5-16-12(14-17-6-7-20(14)4)13-11(15)10-18-21(13)9-8-19(2)3/h6-7,10,12,16H,5,8-9H2,1-4H3
InChIKeyAWCBWHKSBKAVBL-UHFFFAOYSA-N
XLogP1.53
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-chloro-5-[ethylamino-(1-methylpyrazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114654433
2-[4-chloro-5-[ethylamino(pyridin-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114647189
2-[4-chloro-5-[ethylamino(furan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114652413
2-[4-chloro-5-[(2-chlorofuran-3-yl)-(ethylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 106693083
N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylimidazol-2-yl)methyl]ethanamine
CID 114659306
2-[4-chloro-5-[ethylamino-(3-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105038996
N-[(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 114659313
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethyl-2-methoxy-2-methylpropan-1-amine
CID 114657422
2-[4-chloro-5-[methylamino-(6-methyl-3-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105182397
2-[4-chloro-5-[hydrazinyl-(5-methylpyrimidin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105261547
2-[4-chloro-5-[(4-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105193337
2-[5-[amino-(1-methylimidazol-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114659273

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-[ethylamino-(1-methylimidazol-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-chloro-5-[ethylamino-(1-methylimidazol-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 114659302) is 2-[4-chloro-5-[ethylamino-(1-methylimidazol-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-chloro-5-[ethylamino-(1-methylimidazol-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-chloro-5-[ethylamino-(1-methylimidazol-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is CCNC(c1nccn1C)c1c(Cl)cnn1CCN(C)C.
What is the InChIKey of 2-[4-chloro-5-[ethylamino-(1-methylimidazol-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is AWCBWHKSBKAVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN6/c1-5-16-12(14-17-6-7-20(14)4)13-11(15)10-18-21(13)9-8-19(2)3/h6-7,10,12,16H,5,8-9H2,1-4H3.
What are the key properties of 2-[4-chloro-5-[ethylamino-(1-methylimidazol-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-chloro-5-[ethylamino-(1-methylimidazol-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 310.83 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-[ethylamino-(1-methylimidazol-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 114659302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).