[3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone

C18H23N5O — CID 118739880

IUPAC[3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone
SMILESNc1cc(-c2cn[nH]c2C2CCN(C(=O)C3CCCC3)C2)ccn1
InChIInChI=1S/C18H23N5O/c19-16-9-13(5-7-20-16)15-10-21-22-17(15)14-6-8-23(11-14)18(24)12-3-1-2-4-12/h5,7,9-10,12,14H,1-4,6,8,11H2,(H2,19,20)(H,21,22)
InChIKeyHRTRAWFXYKEUDF-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.56
Rot. Bonds3

About [3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone

[3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone (PubChem CID 118739880) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is [3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone
PubChem CID118739880
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name[3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone
SMILESNc1cc(-c2cn[nH]c2C2CCN(C(=O)C3CCCC3)C2)ccn1
InChIInChI=1S/C18H23N5O/c19-16-9-13(5-7-20-16)15-10-21-22-17(15)14-6-8-23(11-14)18(24)12-3-1-2-4-12/h5,7,9-10,12,14H,1-4,6,8,11H2,(H2,19,20)(H,21,22)
InChIKeyHRTRAWFXYKEUDF-UHFFFAOYSA-N
XLogP2.56
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
US10022354, Example 108
CID 121279610
US10022354, Example 36
CID 121279659
US10717746, Example 47
CID 124155258
US10717746, Example 16
CID 124155401
US10894786, Comp. No 53
CID 139558769
N-(4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyrazol-3-yl)cyclohexyl)acetamide
CID 44591769
N-(2-(1H-pyrazol-3-yl)-3,4''-bipyridin-6-yl)cyclopropanecarboxamide
CID 46880472
4-[5-[1-(3-phenylpropyl)pyrrolidin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine
CID 110254366
cyclobutyl-[3-[4-[2-(propylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 118739879
cyclopropyl-[3-[4-[2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 118739900
cyclopropyl-[3-[4-[2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 118739901

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone (CID 118739880) is [3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone is Nc1cc(-c2cn[nH]c2C2CCN(C(=O)C3CCCC3)C2)ccn1.
What is the InChIKey of [3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone?
The InChIKey is HRTRAWFXYKEUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c19-16-9-13(5-7-20-16)15-10-21-22-17(15)14-6-8-23(11-14)18(24)12-3-1-2-4-12/h5,7,9-10,12,14H,1-4,6,8,11H2,(H2,19,20)(H,21,22).
What are the key properties of [3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone?
[3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone has a molecular weight of 325.42 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 118739880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).