N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2-[3-(5-methylfuran-2-yl)indazol-1-yl]acetamide

C21H21N5O2 — CID 30957679

IUPACN-[2-(cyclopropylmethyl)pyrazol-3-yl]-2-[3-(5-methylfuran-2-yl)indazol-1-yl]acetamide
SMILESCc1ccc(-c2nn(CC(=O)Nc3ccnn3CC3CC3)c3ccccc23)o1
InChIInChI=1S/C21H21N5O2/c1-14-6-9-18(28-14)21-16-4-2-3-5-17(16)25(24-21)13-20(27)23-19-10-11-22-26(19)12-15-7-8-15/h2-6,9-11,15H,7-8,12-13H2,1H3,(H,23,27)
InChIKeyMPQZEIMKSDDFGC-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.85
Rot. Bonds6

About N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2-[3-(5-methylfuran-2-yl)indazol-1-yl]acetamide

N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2-[3-(5-methylfuran-2-yl)indazol-1-yl]acetamide (PubChem CID 30957679) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2-[3-(5-methylfuran-2-yl)indazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethyl)pyrazol-3-yl]-2-[3-(5-methylfuran-2-yl)indazol-1-yl]acetamide
PubChem CID30957679
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[2-(cyclopropylmethyl)pyrazol-3-yl]-2-[3-(5-methylfuran-2-yl)indazol-1-yl]acetamide
SMILESCc1ccc(-c2nn(CC(=O)Nc3ccnn3CC3CC3)c3ccccc23)o1
InChIInChI=1S/C21H21N5O2/c1-14-6-9-18(28-14)21-16-4-2-3-5-17(16)25(24-21)13-20(27)23-19-10-11-22-26(19)12-15-7-8-15/h2-6,9-11,15H,7-8,12-13H2,1H3,(H,23,27)
InChIKeyMPQZEIMKSDDFGC-UHFFFAOYSA-N
XLogP3.85
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2-[3-(5-methylfuran-2-yl)indazol-1-yl]acetamide?
The IUPAC name of N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2-[3-(5-methylfuran-2-yl)indazol-1-yl]acetamide (CID 30957679) is N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2-[3-(5-methylfuran-2-yl)indazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2-[3-(5-methylfuran-2-yl)indazol-1-yl]acetamide?
The canonical SMILES for N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2-[3-(5-methylfuran-2-yl)indazol-1-yl]acetamide is Cc1ccc(-c2nn(CC(=O)Nc3ccnn3CC3CC3)c3ccccc23)o1.
What is the InChIKey of N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2-[3-(5-methylfuran-2-yl)indazol-1-yl]acetamide?
The InChIKey is MPQZEIMKSDDFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14-6-9-18(28-14)21-16-4-2-3-5-17(16)25(24-21)13-20(27)23-19-10-11-22-26(19)12-15-7-8-15/h2-6,9-11,15H,7-8,12-13H2,1H3,(H,23,27).
What are the key properties of N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2-[3-(5-methylfuran-2-yl)indazol-1-yl]acetamide?
N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2-[3-(5-methylfuran-2-yl)indazol-1-yl]acetamide has a molecular weight of 375.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2-[3-(5-methylfuran-2-yl)indazol-1-yl]acetamide is sourced from PubChem (CID 30957679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).