2-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide

C13H14N6OS — CID 43783591

IUPAC2-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(NCc2cn[nH]c2-c2cccs2)cn1
InChIInChI=1S/C13H14N6OS/c14-12(20)8-19-7-10(6-17-19)15-4-9-5-16-18-13(9)11-2-1-3-21-11/h1-3,5-7,15H,4,8H2,(H2,14,20)(H,16,18)
InChIKeyPMUXUFGYGQJDIO-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.43
Rot. Bonds6

About 2-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide

2-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide (PubChem CID 43783591) has the molecular formula C13H14N6OS and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
PubChem CID43783591
Molecular FormulaC13H14N6OS
Molecular Weight302.36 g/mol
Exact Mass302.09
IUPAC Name2-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(NCc2cn[nH]c2-c2cccs2)cn1
InChIInChI=1S/C13H14N6OS/c14-12(20)8-19-7-10(6-17-19)15-4-9-5-16-18-13(9)11-2-1-3-21-11/h1-3,5-7,15H,4,8H2,(H2,14,20)(H,16,18)
InChIKeyPMUXUFGYGQJDIO-UHFFFAOYSA-N
XLogP1.43
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
CID 43695305
4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]butanamide
CID 60863763
N-tert-butyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]acetamide;hydrochloride
CID 86776335
N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]thiophen-3-amine
CID 66349893
3-[3-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]methyl]indol-1-yl]propanamide
CID 46983716
3,4,5-trifluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 62809140
2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide
CID 112606480
5-bromo-6-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 103930517
2-nitro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43785499
N-methyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 54950520
N-[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115575837
2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanoic acid
CID 54959684

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide (CID 43783591) is 2-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide is NC(=O)Cn1cc(NCc2cn[nH]c2-c2cccs2)cn1.
What is the InChIKey of 2-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide?
The InChIKey is PMUXUFGYGQJDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6OS/c14-12(20)8-19-7-10(6-17-19)15-4-9-5-16-18-13(9)11-2-1-3-21-11/h1-3,5-7,15H,4,8H2,(H2,14,20)(H,16,18).
What are the key properties of 2-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide?
2-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide has a molecular weight of 302.36 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 43783591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).