N-[2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine

C15H20IN3 — CID 105348677

IUPACN-[2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ccc(Cn2cc(I)cn2)cc1
InChIInChI=1S/C15H20IN3/c1-12(2)17-8-7-13-3-5-14(6-4-13)10-19-11-15(16)9-18-19/h3-6,9,11-12,17H,7-8,10H2,1-2H3
InChIKeyMYRRBMALBNNZSD-UHFFFAOYSA-N
MW369.25 g/mol
LogP3.08
Rot. Bonds6

About N-[2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine

N-[2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine (PubChem CID 105348677) has the molecular formula C15H20IN3 and a molecular weight of 369.25 g/mol. Its IUPAC name is N-[2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine
PubChem CID105348677
Molecular FormulaC15H20IN3
Molecular Weight369.25 g/mol
Exact Mass369.07
IUPAC NameN-[2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ccc(Cn2cc(I)cn2)cc1
InChIInChI=1S/C15H20IN3/c1-12(2)17-8-7-13-3-5-14(6-4-13)10-19-11-15(16)9-18-19/h3-6,9,11-12,17H,7-8,10H2,1-2H3
InChIKeyMYRRBMALBNNZSD-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-1-[(4-methylphenyl)methyl]pyrazole
CID 15942918
N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]propan-2-amine
CID 105346654
N-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 61272505
2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]propanehydrazide
CID 105352253
N-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]ethyl]propan-2-amine
CID 105347084
N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 62732121
3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-N-propan-2-ylpropan-1-amine
CID 63278667
1-[(3,4-difluorophenyl)methyl]-4-iodopyrazole
CID 78997583
N-[2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine
CID 115464341
N-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 55110405
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
N-[2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine
CID 105348367

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine (CID 105348677) is N-[2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine is CC(C)NCCc1ccc(Cn2cc(I)cn2)cc1.
What is the InChIKey of N-[2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine?
The InChIKey is MYRRBMALBNNZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20IN3/c1-12(2)17-8-7-13-3-5-14(6-4-13)10-19-11-15(16)9-18-19/h3-6,9,11-12,17H,7-8,10H2,1-2H3.
What are the key properties of N-[2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine?
N-[2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine has a molecular weight of 369.25 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 105348677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).