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

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

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Related Compounds

(3s)-3-({5-Chloro-4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)-3-(4-fluorophenyl)-n,n-dimethylpropanamide
CID 24949093
Isopropyl-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)[2,4'']bipyridinyl-2''-yl]amine
CID 46899553
1-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555465
US10717746, Example 25
CID 124155169
N-(2-cyclohex-1-en-1-ylethyl)-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide
CID 3242249
3-(cyclohexylmethyl)-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
CID 57401258
1-(3-cyclopropyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea
CID 71555462
1-[(1R,5S)-6-[5-[6-amino-5-(trifluoromethyl)pyridin-3-yl]-2-propan-2-ylpyrazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 90292697
1-(3-cyclopentyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea
CID 92044904
US10022354, Example 36
CID 121279659
1-[1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373154
1-[1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373164

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).