1-chloro-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine

C11H20ClN3 — CID 104555024

IUPAC1-chloro-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine
SMILESCCc1cc(CN(C)C(C)CCl)n(C)n1
InChIInChI=1S/C11H20ClN3/c1-5-10-6-11(15(4)13-10)8-14(3)9(2)7-12/h6,9H,5,7-8H2,1-4H3
InChIKeyXVMSFOXIQOYPOS-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.04
Rot. Bonds5

About 1-chloro-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine

1-chloro-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine (PubChem CID 104555024) has the molecular formula C11H20ClN3 and a molecular weight of 229.75 g/mol. Its IUPAC name is 1-chloro-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-chloro-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine
PubChem CID104555024
Molecular FormulaC11H20ClN3
Molecular Weight229.75 g/mol
Exact Mass229.13
IUPAC Name1-chloro-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine
SMILESCCc1cc(CN(C)C(C)CCl)n(C)n1
InChIInChI=1S/C11H20ClN3/c1-5-10-6-11(15(4)13-10)8-14(3)9(2)7-12/h6,9H,5,7-8H2,1-4H3
InChIKeyXVMSFOXIQOYPOS-UHFFFAOYSA-N
XLogP2.04
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-difluoroethanamine
CID 107487497
1-[ethyl-[(3-ethyl-1-methylpyrazol-5-yl)methyl]amino]-2-methylpropan-2-ol
CID 79389742
1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ylhydrazine
CID 105201388
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
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3-[(3-ethyl-1-methylpyrazol-5-yl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 77125248
1-[1-amino-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79065984
5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-3-ethyl-1-methylpyrazole
CID 66048380
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine
CID 80603738
N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494848
(1R)-1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
CID 79025613
3,5-diethyl-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-iodopyrazole
CID 82703265
1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]-N-methylethanamine
CID 106797650

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine?
The IUPAC name of 1-chloro-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine (CID 104555024) is 1-chloro-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-chloro-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine?
The canonical SMILES for 1-chloro-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine is CCc1cc(CN(C)C(C)CCl)n(C)n1.
What is the InChIKey of 1-chloro-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine?
The InChIKey is XVMSFOXIQOYPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3/c1-5-10-6-11(15(4)13-10)8-14(3)9(2)7-12/h6,9H,5,7-8H2,1-4H3.
What are the key properties of 1-chloro-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine?
1-chloro-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine has a molecular weight of 229.75 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 104555024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).