N-[(1-benzylpyrazol-4-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine

C18H25N3 — CID 79353122

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCC1(C)C(NCc2cnn(Cc3ccccc3)c2)C1(C)C
InChIInChI=1S/C18H25N3/c1-17(2)16(18(17,3)4)19-10-15-11-20-21(13-15)12-14-8-6-5-7-9-14/h5-9,11,13,16,19H,10,12H2,1-4H3
InChIKeyRSIXHTDQDOMWDX-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.46
Rot. Bonds5

About N-[(1-benzylpyrazol-4-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine

N-[(1-benzylpyrazol-4-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine (PubChem CID 79353122) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
PubChem CID79353122
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCC1(C)C(NCc2cnn(Cc3ccccc3)c2)C1(C)C
InChIInChI=1S/C18H25N3/c1-17(2)16(18(17,3)4)19-10-15-11-20-21(13-15)12-14-8-6-5-7-9-14/h5-9,11,13,16,19H,10,12H2,1-4H3
InChIKeyRSIXHTDQDOMWDX-UHFFFAOYSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-1-methylcyclopropan-1-amine
CID 115635172
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine
CID 83005209
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
cis-(1R,3S)-3-[(1-benzylpyrazol-4-yl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065323
1-(1-benzylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957130
N'-[(1-benzylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888359
4-[(1-benzylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106183548
2-(1-benzylpyrazol-4-yl)-N-methylethanamine
CID 83886802
2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 54592708
1-(1-benzylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 103743443
N-[(1-benzylpyrazol-4-yl)methyl]-4-iodoaniline
CID 43503117

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine (CID 79353122) is N-[(1-benzylpyrazol-4-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine is CC1(C)C(NCc2cnn(Cc3ccccc3)c2)C1(C)C.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The InChIKey is RSIXHTDQDOMWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-17(2)16(18(17,3)4)19-10-15-11-20-21(13-15)12-14-8-6-5-7-9-14/h5-9,11,13,16,19H,10,12H2,1-4H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
N-[(1-benzylpyrazol-4-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine is sourced from PubChem (CID 79353122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).