cyclopropyl-[3-[4-[2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone

C19H25N5O — CID 118739900

IUPACcyclopropyl-[3-[4-[2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
SMILESCC(C)Nc1cc(-c2cn[nH]c2C2CCN(C(=O)C3CC3)C2)ccn1
InChIInChI=1S/C19H25N5O/c1-12(2)22-17-9-14(5-7-20-17)16-10-21-23-18(16)15-6-8-24(11-15)19(25)13-3-4-13/h5,7,9-10,12-13,15H,3-4,6,8,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyYLNVKXLPJBMNQF-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.02
Rot. Bonds5

About cyclopropyl-[3-[4-[2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone

cyclopropyl-[3-[4-[2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone (PubChem CID 118739900) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is cyclopropyl-[3-[4-[2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[4-[2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
PubChem CID118739900
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Namecyclopropyl-[3-[4-[2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
SMILESCC(C)Nc1cc(-c2cn[nH]c2C2CCN(C(=O)C3CC3)C2)ccn1
InChIInChI=1S/C19H25N5O/c1-12(2)22-17-9-14(5-7-20-17)16-10-21-23-18(16)15-6-8-24(11-15)19(25)13-3-4-13/h5,7,9-10,12-13,15H,3-4,6,8,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyYLNVKXLPJBMNQF-UHFFFAOYSA-N
XLogP3.02
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[4-[2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-[4-[2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone (CID 118739900) is cyclopropyl-[3-[4-[2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[4-[2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-[4-[2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone is CC(C)Nc1cc(-c2cn[nH]c2C2CCN(C(=O)C3CC3)C2)ccn1.
What is the InChIKey of cyclopropyl-[3-[4-[2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone?
The InChIKey is YLNVKXLPJBMNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-12(2)22-17-9-14(5-7-20-17)16-10-21-23-18(16)15-6-8-24(11-15)19(25)13-3-4-13/h5,7,9-10,12-13,15H,3-4,6,8,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of cyclopropyl-[3-[4-[2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone?
cyclopropyl-[3-[4-[2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[4-[2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 118739900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).