2-(cyclopropylmethylamino)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide

C13H20N4O — CID 119822846

IUPAC2-(cyclopropylmethylamino)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
SMILESCn1nc2c(c1NC(=O)CNCC1CC1)CCC2
InChIInChI=1S/C13H20N4O/c1-17-13(10-3-2-4-11(10)16-17)15-12(18)8-14-7-9-5-6-9/h9,14H,2-8H2,1H3,(H,15,18)
InChIKeyMKSMAPBJNNJBIM-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.85
Rot. Bonds5

About 2-(cyclopropylmethylamino)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide

2-(cyclopropylmethylamino)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide (PubChem CID 119822846) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
PubChem CID119822846
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-(cyclopropylmethylamino)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
SMILESCn1nc2c(c1NC(=O)CNCC1CC1)CCC2
InChIInChI=1S/C13H20N4O/c1-17-13(10-3-2-4-11(10)16-17)15-12(18)8-14-7-9-5-6-9/h9,14H,2-8H2,1H3,(H,15,18)
InChIKeyMKSMAPBJNNJBIM-UHFFFAOYSA-N
XLogP0.85
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide (CID 119822846) is 2-(cyclopropylmethylamino)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide is Cn1nc2c(c1NC(=O)CNCC1CC1)CCC2.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide?
The InChIKey is MKSMAPBJNNJBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-17-13(10-3-2-4-11(10)16-17)15-12(18)8-14-7-9-5-6-9/h9,14H,2-8H2,1H3,(H,15,18).
What are the key properties of 2-(cyclopropylmethylamino)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide?
2-(cyclopropylmethylamino)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide is sourced from PubChem (CID 119822846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).