N-[6-(aminomethyl)-2-pyridinyl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide

C21H25N5O — CID 118715021

IUPACN-[6-(aminomethyl)-2-pyridinyl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2cccc(CN)n2)n(Cc2ccccc2)n1
InChIInChI=1S/C21H25N5O/c1-21(2,3)18-12-17(26(25-18)14-15-8-5-4-6-9-15)20(27)24-19-11-7-10-16(13-22)23-19/h4-12H,13-14,22H2,1-3H3,(H,23,24,27)
InChIKeyDRBIRTCRCIAPSU-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.33
Rot. Bonds5

About N-[6-(aminomethyl)-2-pyridinyl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide

N-[6-(aminomethyl)-2-pyridinyl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide (PubChem CID 118715021) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[6-(aminomethyl)-2-pyridinyl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(aminomethyl)-2-pyridinyl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
PubChem CID118715021
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[6-(aminomethyl)-2-pyridinyl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2cccc(CN)n2)n(Cc2ccccc2)n1
InChIInChI=1S/C21H25N5O/c1-21(2,3)18-12-17(26(25-18)14-15-8-5-4-6-9-15)20(27)24-19-11-7-10-16(13-22)23-19/h4-12H,13-14,22H2,1-3H3,(H,23,24,27)
InChIKeyDRBIRTCRCIAPSU-UHFFFAOYSA-N
XLogP3.33
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(aminomethyl)-2-pyridinyl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide?
The IUPAC name of N-[6-(aminomethyl)-2-pyridinyl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide (CID 118715021) is N-[6-(aminomethyl)-2-pyridinyl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide.
What is the SMILES notation for N-[6-(aminomethyl)-2-pyridinyl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide?
The canonical SMILES for N-[6-(aminomethyl)-2-pyridinyl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide is CC(C)(C)c1cc(C(=O)Nc2cccc(CN)n2)n(Cc2ccccc2)n1.
What is the InChIKey of N-[6-(aminomethyl)-2-pyridinyl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide?
The InChIKey is DRBIRTCRCIAPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-21(2,3)18-12-17(26(25-18)14-15-8-5-4-6-9-15)20(27)24-19-11-7-10-16(13-22)23-19/h4-12H,13-14,22H2,1-3H3,(H,23,24,27).
What are the key properties of N-[6-(aminomethyl)-2-pyridinyl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide?
N-[6-(aminomethyl)-2-pyridinyl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(aminomethyl)-2-pyridinyl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide is sourced from PubChem (CID 118715021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).