N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-2-imidazol-1-yl-N-methylethanamine

C11H16ClN5 — CID 74244430

IUPACN-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-2-imidazol-1-yl-N-methylethanamine
SMILESCc1[nH]nc(CN(C)CCn2ccnc2)c1Cl
InChIInChI=1S/C11H16ClN5/c1-9-11(12)10(15-14-9)7-16(2)5-6-17-4-3-13-8-17/h3-4,8H,5-7H2,1-2H3,(H,14,15)
InChIKeyJOYJNDSZMORACI-UHFFFAOYSA-N
MW253.74 g/mol
LogP1.70
Rot. Bonds5

About N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-2-imidazol-1-yl-N-methylethanamine

N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-2-imidazol-1-yl-N-methylethanamine (PubChem CID 74244430) has the molecular formula C11H16ClN5 and a molecular weight of 253.74 g/mol. Its IUPAC name is N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-2-imidazol-1-yl-N-methylethanamine.

Molecular Properties

Compound NameN-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-2-imidazol-1-yl-N-methylethanamine
PubChem CID74244430
Molecular FormulaC11H16ClN5
Molecular Weight253.74 g/mol
Exact Mass253.11
IUPAC NameN-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-2-imidazol-1-yl-N-methylethanamine
SMILESCc1[nH]nc(CN(C)CCn2ccnc2)c1Cl
InChIInChI=1S/C11H16ClN5/c1-9-11(12)10(15-14-9)7-16(2)5-6-17-4-3-13-8-17/h3-4,8H,5-7H2,1-2H3,(H,14,15)
InChIKeyJOYJNDSZMORACI-UHFFFAOYSA-N
XLogP1.70
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.74
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-2-imidazol-1-yl-N-methylethanamine?
The IUPAC name of N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-2-imidazol-1-yl-N-methylethanamine (CID 74244430) is N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-2-imidazol-1-yl-N-methylethanamine.
What is the SMILES notation for N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-2-imidazol-1-yl-N-methylethanamine?
The canonical SMILES for N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-2-imidazol-1-yl-N-methylethanamine is Cc1[nH]nc(CN(C)CCn2ccnc2)c1Cl.
What is the InChIKey of N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-2-imidazol-1-yl-N-methylethanamine?
The InChIKey is JOYJNDSZMORACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5/c1-9-11(12)10(15-14-9)7-16(2)5-6-17-4-3-13-8-17/h3-4,8H,5-7H2,1-2H3,(H,14,15).
What are the key properties of N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-2-imidazol-1-yl-N-methylethanamine?
N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-2-imidazol-1-yl-N-methylethanamine has a molecular weight of 253.74 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-2-imidazol-1-yl-N-methylethanamine is sourced from PubChem (CID 74244430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).