2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine

C14H21N3 — CID 106936989

IUPAC2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
SMILESC=Cn1cc(CNCC(C2CC2)C2CC2)cn1
InChIInChI=1S/C14H21N3/c1-2-17-10-11(8-16-17)7-15-9-14(12-3-4-12)13-5-6-13/h2,8,10,12-15H,1,3-7,9H2
InChIKeySZDRJWUGFHGCJC-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.51
Rot. Bonds7

About 2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine

2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine (PubChem CID 106936989) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
PubChem CID106936989
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
SMILESC=Cn1cc(CNCC(C2CC2)C2CC2)cn1
InChIInChI=1S/C14H21N3/c1-2-17-10-11(8-16-17)7-15-9-14(12-3-4-12)13-5-6-13/h2,8,10,12-15H,1,3-7,9H2
InChIKeySZDRJWUGFHGCJC-UHFFFAOYSA-N
XLogP2.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-2-amine
CID 106936896
1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 106936170
N-[(1-ethenylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
CID 106937339
N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine
CID 106937175
3-cyclopentyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-1-amine
CID 107094620
N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 106935175
N-[(1-ethenylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 106936939
2-[(1-ethenylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 107094754
N-[(1-ethenylpyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 106936218
N-[(1-ethenylpyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine
CID 106935124
2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 115623017
1-tert-butyl-N-[(1-ethenylpyrazol-4-yl)methyl]piperidin-4-amine
CID 106936555

Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine (CID 106936989) is 2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine is C=Cn1cc(CNCC(C2CC2)C2CC2)cn1.
What is the InChIKey of 2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is SZDRJWUGFHGCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-17-10-11(8-16-17)7-15-9-14(12-3-4-12)13-5-6-13/h2,8,10,12-15H,1,3-7,9H2.
What are the key properties of 2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine?
2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 231.34 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 106936989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).