N-[(2R)-3-methylbutan-2-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide

C12H19N3O — CID 164821389

IUPACN-[(2R)-3-methylbutan-2-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)c1cnn2c1CCC2
InChIInChI=1S/C12H19N3O/c1-8(2)9(3)14-12(16)10-7-13-15-6-4-5-11(10)15/h7-9H,4-6H2,1-3H3,(H,14,16)/t9-/m1/s1
InChIKeyIUCGOYJAOOPODU-SECBINFHSA-N
MW221.30 g/mol
LogP1.60
Rot. Bonds3

About N-[(2R)-3-methylbutan-2-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide

N-[(2R)-3-methylbutan-2-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide (PubChem CID 164821389) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
PubChem CID164821389
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)c1cnn2c1CCC2
InChIInChI=1S/C12H19N3O/c1-8(2)9(3)14-12(16)10-7-13-15-6-4-5-11(10)15/h7-9H,4-6H2,1-3H3,(H,14,16)/t9-/m1/s1
InChIKeyIUCGOYJAOOPODU-SECBINFHSA-N
XLogP1.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide (CID 164821389) is N-[(2R)-3-methylbutan-2-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide is CC(C)[C@@H](C)NC(=O)c1cnn2c1CCC2.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
The InChIKey is IUCGOYJAOOPODU-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)9(3)14-12(16)10-7-13-15-6-4-5-11(10)15/h7-9H,4-6H2,1-3H3,(H,14,16)/t9-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
N-[(2R)-3-methylbutan-2-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide is sourced from PubChem (CID 164821389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).