N-[1-(4-tert-butylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine

C18H27N3 — CID 62904585

IUPACN-[1-(4-tert-butylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
SMILESCC(Nc1cnn(C(C)C)c1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H27N3/c1-13(2)21-12-17(11-19-21)20-14(3)15-7-9-16(10-8-15)18(4,5)6/h7-14,20H,1-6H3
InChIKeyKXJYAGUACMYJRD-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.93
Rot. Bonds4

About N-[1-(4-tert-butylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine

N-[1-(4-tert-butylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine (PubChem CID 62904585) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
PubChem CID62904585
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
SMILESCC(Nc1cnn(C(C)C)c1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H27N3/c1-13(2)21-12-17(11-19-21)20-14(3)15-7-9-16(10-8-15)18(4,5)6/h7-14,20H,1-6H3
InChIKeyKXJYAGUACMYJRD-UHFFFAOYSA-N
XLogP4.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62902276
1-propan-2-yl-N-[1-(4-propylphenyl)ethyl]pyrazol-4-amine
CID 62903879
N-[1-(3-chlorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62903529
2-methyl-3-[(1-propan-2-ylpyrazol-4-yl)amino]butan-2-ol
CID 65338216
N-[1-(2,6-difluorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 55130668
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 83119610
5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpyridin-2-one
CID 60930651
1-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]pyrazol-4-amine
CID 62904044
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62904419
N-[1-(4-tert-butylphenyl)ethyl]-3,5-difluoroaniline
CID 43100376
N-(3-methylbutyl)-1-propan-2-ylpyrazol-4-amine
CID 62903175
4-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol
CID 43534964

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine (CID 62904585) is N-[1-(4-tert-butylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine is CC(Nc1cnn(C(C)C)c1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine?
The InChIKey is KXJYAGUACMYJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-13(2)21-12-17(11-19-21)20-14(3)15-7-9-16(10-8-15)18(4,5)6/h7-14,20H,1-6H3.
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine?
N-[1-(4-tert-butylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine has a molecular weight of 285.44 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 62904585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).