N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropropan-1-amine

C10H17ClFN3 — CID 115732900

IUPACN-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropropan-1-amine
SMILESCCc1nn(C)c(Cl)c1CNCCCF
InChIInChI=1S/C10H17ClFN3/c1-3-9-8(7-13-6-4-5-12)10(11)15(2)14-9/h13H,3-7H2,1-2H3
InChIKeyZREIPTWYUUGNRG-UHFFFAOYSA-N
MW233.72 g/mol
LogP2.09
Rot. Bonds6

About N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropropan-1-amine

N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropropan-1-amine (PubChem CID 115732900) has the molecular formula C10H17ClFN3 and a molecular weight of 233.72 g/mol. Its IUPAC name is N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropropan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropropan-1-amine
PubChem CID115732900
Molecular FormulaC10H17ClFN3
Molecular Weight233.72 g/mol
Exact Mass233.11
IUPAC NameN-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropropan-1-amine
SMILESCCc1nn(C)c(Cl)c1CNCCCF
InChIInChI=1S/C10H17ClFN3/c1-3-9-8(7-13-6-4-5-12)10(11)15(2)14-9/h13H,3-7H2,1-2H3
InChIKeyZREIPTWYUUGNRG-UHFFFAOYSA-N
XLogP2.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine
CID 115630423
5-chloro-3,4-diethyl-1-methylpyrazole
CID 142045538
[1-[[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol
CID 111579370
2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]propane-1,3-diol
CID 115655448
4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]butan-1-amine
CID 106844376
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 115576208
1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 111421651
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine
CID 115576209
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924571
N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]ethanamine
CID 82697029
3-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 111469232
2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol
CID 111421648

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropropan-1-amine?
The IUPAC name of N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropropan-1-amine (CID 115732900) is N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropropan-1-amine.
What is the SMILES notation for N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropropan-1-amine?
The canonical SMILES for N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropropan-1-amine is CCc1nn(C)c(Cl)c1CNCCCF.
What is the InChIKey of N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropropan-1-amine?
The InChIKey is ZREIPTWYUUGNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClFN3/c1-3-9-8(7-13-6-4-5-12)10(11)15(2)14-9/h13H,3-7H2,1-2H3.
What are the key properties of N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropropan-1-amine?
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropropan-1-amine has a molecular weight of 233.72 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropropan-1-amine is sourced from PubChem (CID 115732900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).