N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine

C11H19N3 — CID 43755432

IUPACN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1cn(C)nc1C(C)C
InChIInChI=1S/C11H19N3/c1-5-6-12-7-10-8-14(4)13-11(10)9(2)3/h5,8-9,12H,1,6-7H2,2-4H3
InChIKeyUETYODDTYLTENX-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.82
Rot. Bonds5

About N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine

N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine (PubChem CID 43755432) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine
PubChem CID43755432
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1cn(C)nc1C(C)C
InChIInChI=1S/C11H19N3/c1-5-6-12-7-10-8-14(4)13-11(10)9(2)3/h5,8-9,12H,1,6-7H2,2-4H3
InChIKeyUETYODDTYLTENX-UHFFFAOYSA-N
XLogP1.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methyl-3-pent-4-en-2-ylpyrazol-4-yl)methyl]ethanamine
CID 79485529
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
3-ethenoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 43771284
N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888952
N',N'-diethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 43761834
2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 43755117
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 43757047
4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentan-1-amine
CID 54893522
2,2-dimethyl-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanenitrile
CID 104587141
2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide
CID 43754758
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353474
[4-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]phenyl]methanol
CID 107229813

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine (CID 43755432) is N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine is C=CCNCc1cn(C)nc1C(C)C.
What is the InChIKey of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine?
The InChIKey is UETYODDTYLTENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-5-6-12-7-10-8-14(4)13-11(10)9(2)3/h5,8-9,12H,1,6-7H2,2-4H3.
What are the key properties of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine?
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 43755432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).