N-[(1-tert-butylpyrazol-4-yl)methyl]-2-chloro-6-methylaniline

C15H20ClN3 — CID 66252439

IUPACN-[(1-tert-butylpyrazol-4-yl)methyl]-2-chloro-6-methylaniline
SMILESCc1cccc(Cl)c1NCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C15H20ClN3/c1-11-6-5-7-13(16)14(11)17-8-12-9-18-19(10-12)15(2,3)4/h5-7,9-10,17H,8H2,1-4H3
InChIKeyVIKPVLMKGBPRCL-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.21
Rot. Bonds3

About N-[(1-tert-butylpyrazol-4-yl)methyl]-2-chloro-6-methylaniline

N-[(1-tert-butylpyrazol-4-yl)methyl]-2-chloro-6-methylaniline (PubChem CID 66252439) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[(1-tert-butylpyrazol-4-yl)methyl]-2-chloro-6-methylaniline.

Molecular Properties

Compound NameN-[(1-tert-butylpyrazol-4-yl)methyl]-2-chloro-6-methylaniline
PubChem CID66252439
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC NameN-[(1-tert-butylpyrazol-4-yl)methyl]-2-chloro-6-methylaniline
SMILESCc1cccc(Cl)c1NCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C15H20ClN3/c1-11-6-5-7-13(16)14(11)17-8-12-9-18-19(10-12)15(2,3)4/h5-7,9-10,17H,8H2,1-4H3
InChIKeyVIKPVLMKGBPRCL-UHFFFAOYSA-N
XLogP4.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-2-chloro-6-methylaniline?
The IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-2-chloro-6-methylaniline (CID 66252439) is N-[(1-tert-butylpyrazol-4-yl)methyl]-2-chloro-6-methylaniline.
What is the SMILES notation for N-[(1-tert-butylpyrazol-4-yl)methyl]-2-chloro-6-methylaniline?
The canonical SMILES for N-[(1-tert-butylpyrazol-4-yl)methyl]-2-chloro-6-methylaniline is Cc1cccc(Cl)c1NCc1cnn(C(C)(C)C)c1.
What is the InChIKey of N-[(1-tert-butylpyrazol-4-yl)methyl]-2-chloro-6-methylaniline?
The InChIKey is VIKPVLMKGBPRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-11-6-5-7-13(16)14(11)17-8-12-9-18-19(10-12)15(2,3)4/h5-7,9-10,17H,8H2,1-4H3.
What are the key properties of N-[(1-tert-butylpyrazol-4-yl)methyl]-2-chloro-6-methylaniline?
N-[(1-tert-butylpyrazol-4-yl)methyl]-2-chloro-6-methylaniline has a molecular weight of 277.80 g/mol, XLogP of 4.21, 3 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]-2-chloro-6-methylaniline is sourced from PubChem (CID 66252439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).