N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)propan-2-amine

C17H24ClN3 — CID 43779764

IUPACN-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C17H24ClN3/c1-13(9-14-5-7-16(18)8-6-14)19-10-15-11-20-21(12-15)17(2,3)4/h5-8,11-13,19H,9-10H2,1-4H3
InChIKeyJPXNJXXENNXLEN-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.01
Rot. Bonds5

About N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)propan-2-amine

N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)propan-2-amine (PubChem CID 43779764) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)propan-2-amine
PubChem CID43779764
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC NameN-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C17H24ClN3/c1-13(9-14-5-7-16(18)8-6-14)19-10-15-11-20-21(12-15)17(2,3)4/h5-8,11-13,19H,9-10H2,1-4H3
InChIKeyJPXNJXXENNXLEN-UHFFFAOYSA-N
XLogP4.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-tert-butylpyrazol-4-yl)methyl]-4-chloroaniline
CID 43762334
N-[(1-tert-butylpyrazol-4-yl)methyl]pentan-2-amine
CID 43757996
N-[(1-tert-butylpyrazol-4-yl)methyl]-6-methylheptan-2-amine
CID 43769272
N-[(1-tert-butylpyrazol-4-yl)methyl]pent-4-yn-2-amine
CID 115660312
N-[(1-tert-butylpyrazol-4-yl)methyl]heptan-2-amine
CID 43778077
(1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 93291145
N-[(1-tert-butylpyrazol-4-yl)methyl]but-3-en-2-amine
CID 115691049
N-[(1-tert-butylpyrazol-4-yl)methyl]-4-methylsulfinylbutan-2-amine
CID 115688222
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 60946182
(1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 81402195
(1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 78978020
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)propan-2-amine?
The IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)propan-2-amine (CID 43779764) is N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)propan-2-amine.
What is the SMILES notation for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)propan-2-amine?
The canonical SMILES for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)propan-2-amine is CC(Cc1ccc(Cl)cc1)NCc1cnn(C(C)(C)C)c1.
What is the InChIKey of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)propan-2-amine?
The InChIKey is JPXNJXXENNXLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-13(9-14-5-7-16(18)8-6-14)19-10-15-11-20-21(12-15)17(2,3)4/h5-8,11-13,19H,9-10H2,1-4H3.
What are the key properties of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)propan-2-amine?
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)propan-2-amine has a molecular weight of 305.85 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)propan-2-amine is sourced from PubChem (CID 43779764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).