N-[[4-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine

C18H25N3 — CID 66023284

IUPACN-[[4-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
SMILESCn1cc(-c2ccc(CNC3CC3)cc2)c(C(C)(C)C)n1
InChIInChI=1S/C18H25N3/c1-18(2,3)17-16(12-21(4)20-17)14-7-5-13(6-8-14)11-19-15-9-10-15/h5-8,12,15,19H,9-11H2,1-4H3
InChIKeyATPVCZQGTPIKMT-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.64
Rot. Bonds4

About N-[[4-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine

N-[[4-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine (PubChem CID 66023284) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[4-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
PubChem CID66023284
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[[4-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
SMILESCn1cc(-c2ccc(CNC3CC3)cc2)c(C(C)(C)C)n1
InChIInChI=1S/C18H25N3/c1-18(2,3)17-16(12-21(4)20-17)14-7-5-13(6-8-14)11-19-15-9-10-15/h5-8,12,15,19H,9-11H2,1-4H3
InChIKeyATPVCZQGTPIKMT-UHFFFAOYSA-N
XLogP3.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 54980066
3-tert-butyl-1-methyl-4-(4-methylphenyl)pyrazole
CID 58157464
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 83075690
1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]-N-methylmethanamine
CID 66020605
N-[[4-fluoro-3-(1-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine
CID 103131603
N-[(4-tert-butylphenyl)methyl]cycloheptanamine
CID 28509997
N-[[5-(3-ethyl-1-methylpyrazol-4-yl)thiophen-2-yl]methyl]cyclopropanamine
CID 107464336
N-[[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methyl]cyclopropanamine
CID 106463295
N-[[4-(4-tert-butylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 61432717
N-[[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82438551
1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine
CID 43215927
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83089082

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine (CID 66023284) is N-[[4-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine is Cn1cc(-c2ccc(CNC3CC3)cc2)c(C(C)(C)C)n1.
What is the InChIKey of N-[[4-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is ATPVCZQGTPIKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-18(2,3)17-16(12-21(4)20-17)14-7-5-13(6-8-14)11-19-15-9-10-15/h5-8,12,15,19H,9-11H2,1-4H3.
What are the key properties of N-[[4-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine?
N-[[4-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 283.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 66023284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).