N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]acetamide

C18H26N6O — CID 98157374

IUPACN-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]acetamide
SMILESCc1cc(C)n(C2CN(CC(=O)Nc3ccnn3[C@H](C)C3CC3)C2)n1
InChIInChI=1S/C18H26N6O/c1-12-8-13(2)23(21-12)16-9-22(10-16)11-18(25)20-17-6-7-19-24(17)14(3)15-4-5-15/h6-8,14-16H,4-5,9-11H2,1-3H3,(H,20,25)/t14-/m1/s1
InChIKeyKKSGKCMJOSNGNV-CQSZACIVSA-N
MW342.45 g/mol
LogP2.16
Rot. Bonds6

About N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]acetamide

N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]acetamide (PubChem CID 98157374) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]acetamide
PubChem CID98157374
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]acetamide
SMILESCc1cc(C)n(C2CN(CC(=O)Nc3ccnn3[C@H](C)C3CC3)C2)n1
InChIInChI=1S/C18H26N6O/c1-12-8-13(2)23(21-12)16-9-22(10-16)11-18(25)20-17-6-7-19-24(17)14(3)15-4-5-15/h6-8,14-16H,4-5,9-11H2,1-3H3,(H,20,25)/t14-/m1/s1
InChIKeyKKSGKCMJOSNGNV-CQSZACIVSA-N
XLogP2.16
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]acetamide?
The IUPAC name of N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]acetamide (CID 98157374) is N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]acetamide.
What is the SMILES notation for N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]acetamide?
The canonical SMILES for N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]acetamide is Cc1cc(C)n(C2CN(CC(=O)Nc3ccnn3[C@H](C)C3CC3)C2)n1.
What is the InChIKey of N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]acetamide?
The InChIKey is KKSGKCMJOSNGNV-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N6O/c1-12-8-13(2)23(21-12)16-9-22(10-16)11-18(25)20-17-6-7-19-24(17)14(3)15-4-5-15/h6-8,14-16H,4-5,9-11H2,1-3H3,(H,20,25)/t14-/m1/s1.
What are the key properties of N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]acetamide?
N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]acetamide has a molecular weight of 342.45 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]acetamide is sourced from PubChem (CID 98157374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).