N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine

C14H25ClN4 — CID 106614313

IUPACN-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
SMILESCCc1nn(CC)c(CN(C)CC2CCCN2)c1Cl
InChIInChI=1S/C14H25ClN4/c1-4-12-14(15)13(19(5-2)17-12)10-18(3)9-11-7-6-8-16-11/h11,16H,4-10H2,1-3H3
InChIKeyXYDWMSDMRUSREE-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.30
Rot. Bonds6

About N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine

N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine (PubChem CID 106614313) has the molecular formula C14H25ClN4 and a molecular weight of 284.83 g/mol. Its IUPAC name is N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
PubChem CID106614313
Molecular FormulaC14H25ClN4
Molecular Weight284.83 g/mol
Exact Mass284.18
IUPAC NameN-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
SMILESCCc1nn(CC)c(CN(C)CC2CCCN2)c1Cl
InChIInChI=1S/C14H25ClN4/c1-4-12-14(15)13(19(5-2)17-12)10-18(3)9-11-7-6-8-16-11/h11,16H,4-10H2,1-3H3
InChIKeyXYDWMSDMRUSREE-UHFFFAOYSA-N
XLogP2.30
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106616454
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 102550778
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632130
1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 114952590
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-piperidin-2-ylethanol
CID 106634560
1-(azepan-2-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone
CID 116582605
3-bromo-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methylbutan-1-amine
CID 113499968
N-[[3-(aminomethyl)-4-chloro-1-ethylpyrazol-5-yl]methyl]-N-methylethanamine
CID 169145998
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 107124551
N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71643386
N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642062
N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 97164371

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine?
The IUPAC name of N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine (CID 106614313) is N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine?
The canonical SMILES for N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine is CCc1nn(CC)c(CN(C)CC2CCCN2)c1Cl.
What is the InChIKey of N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine?
The InChIKey is XYDWMSDMRUSREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4/c1-4-12-14(15)13(19(5-2)17-12)10-18(3)9-11-7-6-8-16-11/h11,16H,4-10H2,1-3H3.
What are the key properties of N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine?
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine has a molecular weight of 284.83 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 106614313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).