(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone

C11H16N4O — CID 62075958

IUPAC(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESNc1c(C(=O)N2CCCC2)n[nH]c1C1CC1
InChIInChI=1S/C11H16N4O/c12-8-9(7-3-4-7)13-14-10(8)11(16)15-5-1-2-6-15/h7H,1-6,12H2,(H,13,14)
InChIKeyFQAJRNHBHGLINS-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.11
Rot. Bonds2

About (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone

(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone (PubChem CID 62075958) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
PubChem CID62075958
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESNc1c(C(=O)N2CCCC2)n[nH]c1C1CC1
InChIInChI=1S/C11H16N4O/c12-8-9(7-3-4-7)13-14-10(8)11(16)15-5-1-2-6-15/h7H,1-6,12H2,(H,13,14)
InChIKeyFQAJRNHBHGLINS-UHFFFAOYSA-N
XLogP1.11
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 55034216
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211742
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107209753
4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione
CID 66083670
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 62204451
3-(azepane-1-carbonyl)-5-cyclopropyl-1H-pyrazole-4-sulfonamide
CID 65374240
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677536
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102742694
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 62078266
(4-amino-5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 62083322
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114407510
4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholine-2-carbonitrile
CID 79674073

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone (CID 62075958) is (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone is Nc1c(C(=O)N2CCCC2)n[nH]c1C1CC1.
What is the InChIKey of (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is FQAJRNHBHGLINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-8-9(7-3-4-7)13-14-10(8)11(16)15-5-1-2-6-15/h7H,1-6,12H2,(H,13,14).
What are the key properties of (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone?
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 220.28 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 62075958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).