N-[5-cyano-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]formamide

C15H15N5O — CID 138510463

IUPACN-[5-cyano-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]formamide
SMILESCC1(C)Cc2c(-c3cc(NC=O)ncc3C#N)cnn2C1
InChIInChI=1S/C15H15N5O/c1-15(2)4-13-12(7-19-20(13)8-15)11-3-14(18-9-21)17-6-10(11)5-16/h3,6-7,9H,4,8H2,1-2H3,(H,17,18,21)
InChIKeyYJININFBZADECV-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.97
Rot. Bonds3

About N-[5-cyano-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]formamide

N-[5-cyano-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]formamide (PubChem CID 138510463) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[5-cyano-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]formamide.

Molecular Properties

Compound NameN-[5-cyano-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]formamide
PubChem CID138510463
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-[5-cyano-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]formamide
SMILESCC1(C)Cc2c(-c3cc(NC=O)ncc3C#N)cnn2C1
InChIInChI=1S/C15H15N5O/c1-15(2)4-13-12(7-19-20(13)8-15)11-3-14(18-9-21)17-6-10(11)5-16/h3,6-7,9H,4,8H2,1-2H3,(H,17,18,21)
InChIKeyYJININFBZADECV-UHFFFAOYSA-N
XLogP1.97
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]formamide?
The IUPAC name of N-[5-cyano-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]formamide (CID 138510463) is N-[5-cyano-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]formamide.
What is the SMILES notation for N-[5-cyano-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]formamide?
The canonical SMILES for N-[5-cyano-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]formamide is CC1(C)Cc2c(-c3cc(NC=O)ncc3C#N)cnn2C1.
What is the InChIKey of N-[5-cyano-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]formamide?
The InChIKey is YJININFBZADECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-15(2)4-13-12(7-19-20(13)8-15)11-3-14(18-9-21)17-6-10(11)5-16/h3,6-7,9H,4,8H2,1-2H3,(H,17,18,21).
What are the key properties of N-[5-cyano-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]formamide?
N-[5-cyano-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]formamide has a molecular weight of 281.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]formamide is sourced from PubChem (CID 138510463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).