N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-pyrazol-1-ylpropanamide

C20H25N5O — CID 134048943

IUPACN-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ccnn1Cc1ccc(C(C)(C)C)cc1)n1cccn1
InChIInChI=1S/C20H25N5O/c1-15(24-13-5-11-21-24)19(26)23-18-10-12-22-25(18)14-16-6-8-17(9-7-16)20(2,3)4/h5-13,15H,14H2,1-4H3,(H,23,26)
InChIKeyMYEVFDRTMZGQBS-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.63
Rot. Bonds5

About N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-pyrazol-1-ylpropanamide

N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-pyrazol-1-ylpropanamide (PubChem CID 134048943) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-pyrazol-1-ylpropanamide
PubChem CID134048943
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ccnn1Cc1ccc(C(C)(C)C)cc1)n1cccn1
InChIInChI=1S/C20H25N5O/c1-15(24-13-5-11-21-24)19(26)23-18-10-12-22-25(18)14-16-6-8-17(9-7-16)20(2,3)4/h5-13,15H,14H2,1-4H3,(H,23,26)
InChIKeyMYEVFDRTMZGQBS-UHFFFAOYSA-N
XLogP3.63
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-pyrazol-1-ylpropanamide (CID 134048943) is N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-pyrazol-1-ylpropanamide is CC(C(=O)Nc1ccnn1Cc1ccc(C(C)(C)C)cc1)n1cccn1.
What is the InChIKey of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-pyrazol-1-ylpropanamide?
The InChIKey is MYEVFDRTMZGQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-15(24-13-5-11-21-24)19(26)23-18-10-12-22-25(18)14-16-6-8-17(9-7-16)20(2,3)4/h5-13,15H,14H2,1-4H3,(H,23,26).
What are the key properties of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-pyrazol-1-ylpropanamide?
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-pyrazol-1-ylpropanamide has a molecular weight of 351.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 134048943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).