N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(1-hydroxycyclohexyl)acetamide

C14H21N5O2 — CID 136926147

IUPACN-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(1-hydroxycyclohexyl)acetamide
SMILESCc1nn(C)c2n[nH]c(NC(=O)CC3(O)CCCCC3)c12
InChIInChI=1S/C14H21N5O2/c1-9-11-12(16-17-13(11)19(2)18-9)15-10(20)8-14(21)6-4-3-5-7-14/h21H,3-8H2,1-2H3,(H2,15,16,17,20)
InChIKeyPIGZPBYITYQRGK-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.63
Rot. Bonds3

About N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(1-hydroxycyclohexyl)acetamide

N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 136926147) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(1-hydroxycyclohexyl)acetamide
PubChem CID136926147
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC NameN-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(1-hydroxycyclohexyl)acetamide
SMILESCc1nn(C)c2n[nH]c(NC(=O)CC3(O)CCCCC3)c12
InChIInChI=1S/C14H21N5O2/c1-9-11-12(16-17-13(11)19(2)18-9)15-10(20)8-14(21)6-4-3-5-7-14/h21H,3-8H2,1-2H3,(H2,15,16,17,20)
InChIKeyPIGZPBYITYQRGK-UHFFFAOYSA-N
XLogP1.63
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(1-hydroxycyclohexyl)acetamide (CID 136926147) is N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(1-hydroxycyclohexyl)acetamide is Cc1nn(C)c2n[nH]c(NC(=O)CC3(O)CCCCC3)c12.
What is the InChIKey of N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is PIGZPBYITYQRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-9-11-12(16-17-13(11)19(2)18-9)15-10(20)8-14(21)6-4-3-5-7-14/h21H,3-8H2,1-2H3,(H2,15,16,17,20).
What are the key properties of N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(1-hydroxycyclohexyl)acetamide?
N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 136926147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).