N-[1-[[2-(2H-indazol-3-yl)acetyl]amino]butan-2-yl]-1H-pyrazole-4-carboxamide

C17H20N6O2 — CID 167971344

IUPACN-[1-[[2-(2H-indazol-3-yl)acetyl]amino]butan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCCC(CNC(=O)Cc1[nH]nc2ccccc12)NC(=O)c1cn[nH]c1
InChIInChI=1S/C17H20N6O2/c1-2-12(21-17(25)11-8-19-20-9-11)10-18-16(24)7-15-13-5-3-4-6-14(13)22-23-15/h3-6,8-9,12H,2,7,10H2,1H3,(H,18,24)(H,19,20)(H,21,25)(H,22,23)
InChIKeyYBFMQKBUNPKHQR-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.15
Rot. Bonds7

About N-[1-[[2-(2H-indazol-3-yl)acetyl]amino]butan-2-yl]-1H-pyrazole-4-carboxamide

N-[1-[[2-(2H-indazol-3-yl)acetyl]amino]butan-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 167971344) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[1-[[2-(2H-indazol-3-yl)acetyl]amino]butan-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[2-(2H-indazol-3-yl)acetyl]amino]butan-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID167971344
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-[1-[[2-(2H-indazol-3-yl)acetyl]amino]butan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCCC(CNC(=O)Cc1[nH]nc2ccccc12)NC(=O)c1cn[nH]c1
InChIInChI=1S/C17H20N6O2/c1-2-12(21-17(25)11-8-19-20-9-11)10-18-16(24)7-15-13-5-3-4-6-14(13)22-23-15/h3-6,8-9,12H,2,7,10H2,1H3,(H,18,24)(H,19,20)(H,21,25)(H,22,23)
InChIKeyYBFMQKBUNPKHQR-UHFFFAOYSA-N
XLogP1.15
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(2H-indazol-3-yl)acetyl]amino]butan-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-[[2-(2H-indazol-3-yl)acetyl]amino]butan-2-yl]-1H-pyrazole-4-carboxamide (CID 167971344) is N-[1-[[2-(2H-indazol-3-yl)acetyl]amino]butan-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[[2-(2H-indazol-3-yl)acetyl]amino]butan-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-[[2-(2H-indazol-3-yl)acetyl]amino]butan-2-yl]-1H-pyrazole-4-carboxamide is CCC(CNC(=O)Cc1[nH]nc2ccccc12)NC(=O)c1cn[nH]c1.
What is the InChIKey of N-[1-[[2-(2H-indazol-3-yl)acetyl]amino]butan-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is YBFMQKBUNPKHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-2-12(21-17(25)11-8-19-20-9-11)10-18-16(24)7-15-13-5-3-4-6-14(13)22-23-15/h3-6,8-9,12H,2,7,10H2,1H3,(H,18,24)(H,19,20)(H,21,25)(H,22,23).
What are the key properties of N-[1-[[2-(2H-indazol-3-yl)acetyl]amino]butan-2-yl]-1H-pyrazole-4-carboxamide?
N-[1-[[2-(2H-indazol-3-yl)acetyl]amino]butan-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.15, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(2H-indazol-3-yl)acetyl]amino]butan-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 167971344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).