N-tert-butyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]acetamide;hydrochloride

C14H21ClN4OS — CID 86776335

IUPACN-tert-butyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]acetamide;hydrochloride
SMILESCC(C)(C)NC(=O)CNCc1cn[nH]c1-c1cccs1.Cl
InChIInChI=1S/C14H20N4OS.ClH/c1-14(2,3)17-12(19)9-15-7-10-8-16-18-13(10)11-5-4-6-20-11;/h4-6,8,15H,7,9H2,1-3H3,(H,16,18)(H,17,19);1H
InChIKeyHJBHSESSVKOPRA-UHFFFAOYSA-N
MW328.87 g/mol
LogP2.56
Rot. Bonds5

About N-tert-butyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]acetamide;hydrochloride

N-tert-butyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]acetamide;hydrochloride (PubChem CID 86776335) has the molecular formula C14H21ClN4OS and a molecular weight of 328.87 g/mol. Its IUPAC name is N-tert-butyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-tert-butyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]acetamide;hydrochloride
PubChem CID86776335
Molecular FormulaC14H21ClN4OS
Molecular Weight328.87 g/mol
Exact Mass328.11
IUPAC NameN-tert-butyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]acetamide;hydrochloride
SMILESCC(C)(C)NC(=O)CNCc1cn[nH]c1-c1cccs1.Cl
InChIInChI=1S/C14H20N4OS.ClH/c1-14(2,3)17-12(19)9-15-7-10-8-16-18-13(10)11-5-4-6-20-11;/h4-6,8,15H,7,9H2,1-3H3,(H,16,18)(H,17,19);1H
InChIKeyHJBHSESSVKOPRA-UHFFFAOYSA-N
XLogP2.56
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]butanamide
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N-[(1-methylcyclopropyl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine
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N-methyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]acetamide;hydrochloride?
The IUPAC name of N-tert-butyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]acetamide;hydrochloride (CID 86776335) is N-tert-butyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]acetamide;hydrochloride.
What is the SMILES notation for N-tert-butyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]acetamide;hydrochloride?
The canonical SMILES for N-tert-butyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]acetamide;hydrochloride is CC(C)(C)NC(=O)CNCc1cn[nH]c1-c1cccs1.Cl.
What is the InChIKey of N-tert-butyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]acetamide;hydrochloride?
The InChIKey is HJBHSESSVKOPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS.ClH/c1-14(2,3)17-12(19)9-15-7-10-8-16-18-13(10)11-5-4-6-20-11;/h4-6,8,15H,7,9H2,1-3H3,(H,16,18)(H,17,19);1H.
What are the key properties of N-tert-butyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]acetamide;hydrochloride?
N-tert-butyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]acetamide;hydrochloride has a molecular weight of 328.87 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]acetamide;hydrochloride is sourced from PubChem (CID 86776335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).