N-[4-cyano-5-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-pyrazol-3-yl]acetamide

C14H15N5O — CID 3412250

IUPACN-[4-cyano-5-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1n[nH]c(-c2cc3c([nH]2)CCCC3)c1C#N
InChIInChI=1S/C14H15N5O/c1-8(20)16-14-10(7-15)13(18-19-14)12-6-9-4-2-3-5-11(9)17-12/h6,17H,2-5H2,1H3,(H2,16,18,19,20)
InChIKeyNPWSOHHEYWOHRP-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.11
Rot. Bonds2

About N-[4-cyano-5-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-pyrazol-3-yl]acetamide

N-[4-cyano-5-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-pyrazol-3-yl]acetamide (PubChem CID 3412250) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[4-cyano-5-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-cyano-5-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-pyrazol-3-yl]acetamide
PubChem CID3412250
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-[4-cyano-5-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1n[nH]c(-c2cc3c([nH]2)CCCC3)c1C#N
InChIInChI=1S/C14H15N5O/c1-8(20)16-14-10(7-15)13(18-19-14)12-6-9-4-2-3-5-11(9)17-12/h6,17H,2-5H2,1H3,(H2,16,18,19,20)
InChIKeyNPWSOHHEYWOHRP-UHFFFAOYSA-N
XLogP2.11
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-5-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of N-[4-cyano-5-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-pyrazol-3-yl]acetamide (CID 3412250) is N-[4-cyano-5-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[4-cyano-5-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for N-[4-cyano-5-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-pyrazol-3-yl]acetamide is CC(=O)Nc1n[nH]c(-c2cc3c([nH]2)CCCC3)c1C#N.
What is the InChIKey of N-[4-cyano-5-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is NPWSOHHEYWOHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-8(20)16-14-10(7-15)13(18-19-14)12-6-9-4-2-3-5-11(9)17-12/h6,17H,2-5H2,1H3,(H2,16,18,19,20).
What are the key properties of N-[4-cyano-5-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-pyrazol-3-yl]acetamide?
N-[4-cyano-5-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 269.31 g/mol, XLogP of 2.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-5-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 3412250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).