[3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C17H23N5O — CID 121279628

IUPAC[3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(n3cc4c(n3)CCC4)C2)n[nH]1
InChIInChI=1S/C17H23N5O/c1-11(2)15-8-16(19-18-15)17(23)21-7-6-13(10-21)22-9-12-4-3-5-14(12)20-22/h8-9,11,13H,3-7,10H2,1-2H3,(H,18,19)
InChIKeyDTMQRYGRPURUQQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.31
Rot. Bonds3

About [3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 121279628) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is [3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID121279628
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name[3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(n3cc4c(n3)CCC4)C2)n[nH]1
InChIInChI=1S/C17H23N5O/c1-11(2)15-8-16(19-18-15)17(23)21-7-6-13(10-21)22-9-12-4-3-5-14(12)20-22/h8-9,11,13H,3-7,10H2,1-2H3,(H,18,19)
InChIKeyDTMQRYGRPURUQQ-UHFFFAOYSA-N
XLogP2.31
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 121279628) is [3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is CC(C)c1cc(C(=O)N2CCC(n3cc4c(n3)CCC4)C2)n[nH]1.
What is the InChIKey of [3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is DTMQRYGRPURUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-11(2)15-8-16(19-18-15)17(23)21-7-6-13(10-21)22-9-12-4-3-5-14(12)20-22/h8-9,11,13H,3-7,10H2,1-2H3,(H,18,19).
What are the key properties of [3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 121279628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).